1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine

C244H441N7O14 — CID 140758867

IUPAC1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1ccc(OCCOCN(C)C)c(Cc2cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc3cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc4cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc5cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc6cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc7cc(CCCCCCCCCCCCCCCCCCCCCCC)ccc7OCCOCN(C)C)c6OCCOCN(C)C)c5OCCOCN(C)C)c4OCCOCN(C)C)c3OCCOCN(C)C)c2OCCOCN(C)C)c1
InChIInChI=1S/C244H441N7O14/c1-22-29-36-43-50-57-64-71-78-85-92-99-106-113-120-127-134-141-148-155-162-169-219-176-178-238(259-187-180-252-212-245(8)9)226(194-219)206-228-196-221(171-164-157-150-143-136-129-122-115-108-101-94-87-80-73-66-59-52-45-38-31-24-3)198-230(240(228)261-189-182-254-214-247(12)13)208-232-200-223(173-166-159-152-145-138-131-124-117-110-103-96-89-82-75-68-61-54-47-40-33-26-5)202-234(242(232)263-191-184-256-216-249(16)17)210-236-204-225(175-168-161-154-147-140-133-126-119-112-105-98-91-84-77-70-63-56-49-42-35-28-7)205-237(244(236)265-193-186-258-218-251(20)21)211-235-203-224(174-167-160-153-146-139-132-125-118-111-104-97-90-83-76-69-62-55-48-41-34-27-6)201-233(243(235)264-192-185-257-217-250(18)19)209-231-199-222(172-165-158-151-144-137-130-123-116-109-102-95-88-81-74-67-60-53-46-39-32-25-4)197-229(241(231)262-190-183-255-215-248(14)15)207-227-195-220(177-179-239(227)260-188-181-253-213-246(10)11)170-163-156-149-142-135-128-121-114-107-100-93-86-79-72-65-58-51-44-37-30-23-2/h176-179,194-205H,22-175,180-193,206-218H2,1-21H3
InChIKeyNLPHBDUGUBJFFX-UHFFFAOYSA-N
MW3697.25 g/mol
LogP71.91
Rot. Bonds208

About 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine

1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine (PubChem CID 140758867) has the molecular formula C244H441N7O14 and a molecular weight of 3697.25 g/mol. Its IUPAC name is 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine
PubChem CID140758867
Molecular FormulaC244H441N7O14
Molecular Weight3697.25 g/mol
Exact Mass3694.40
IUPAC Name1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCCCCCCCCCCCc1ccc(OCCOCN(C)C)c(Cc2cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc3cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc4cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc5cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc6cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc7cc(CCCCCCCCCCCCCCCCCCCCCCC)ccc7OCCOCN(C)C)c6OCCOCN(C)C)c5OCCOCN(C)C)c4OCCOCN(C)C)c3OCCOCN(C)C)c2OCCOCN(C)C)c1
InChIInChI=1S/C244H441N7O14/c1-22-29-36-43-50-57-64-71-78-85-92-99-106-113-120-127-134-141-148-155-162-169-219-176-178-238(259-187-180-252-212-245(8)9)226(194-219)206-228-196-221(171-164-157-150-143-136-129-122-115-108-101-94-87-80-73-66-59-52-45-38-31-24-3)198-230(240(228)261-189-182-254-214-247(12)13)208-232-200-223(173-166-159-152-145-138-131-124-117-110-103-96-89-82-75-68-61-54-47-40-33-26-5)202-234(242(232)263-191-184-256-216-249(16)17)210-236-204-225(175-168-161-154-147-140-133-126-119-112-105-98-91-84-77-70-63-56-49-42-35-28-7)205-237(244(236)265-193-186-258-218-251(20)21)211-235-203-224(174-167-160-153-146-139-132-125-118-111-104-97-90-83-76-69-62-55-48-41-34-27-6)201-233(243(235)264-192-185-257-217-250(18)19)209-231-199-222(172-165-158-151-144-137-130-123-116-109-102-95-88-81-74-67-60-53-46-39-32-25-4)197-229(241(231)262-190-183-255-215-248(14)15)207-227-195-220(177-179-239(227)260-188-181-253-213-246(10)11)170-163-156-149-142-135-128-121-114-107-100-93-86-79-72-65-58-51-44-37-30-23-2/h176-179,194-205H,22-175,180-193,206-218H2,1-21H3
InChIKeyNLPHBDUGUBJFFX-UHFFFAOYSA-N
XLogP71.91
TPSA151.90 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds208
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003697.25
LogP ≤ 571.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-[2-[2-[[2-[2-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxyethoxy]-3-[[2-[2-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxyethoxy]-3-[[3-ethyl-5-hexyl-2-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]-5-hexylphenyl]methyl]-5-hexylphenyl]methyl]-4-hexylphenoxy]ethyl] 1-O-ethyl (Z)-but-2-enedioate
CID 165373578
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2,4-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14572973
15-[2-[2,4-di(nonyl)phenoxy]ethoxy]pentadecanal
CID 58616728
2-[2-[2-[2-(dimethylamino)ethyl]-4-nonylphenoxy]-5-nonylphenyl]-N,N-dimethylethanamine
CID 71439166
sodium 3-(2,4-diheptylphenoxy)propane-1-sulfonate
CID 101315500
2-[2-(aminomethyl)-4-pentylphenoxy]ethyl sulfite
CID 174482066
calcium 2-[(2-oxido-5-undecylphenyl)methyl]-4-undecylphenolate
CID 101275864
4-(2,4-dioctylphenoxy)butane-1-sulfonic acid
CID 101315717
15-[2-(2,4,6-tripentylphenoxy)ethoxy]pentadecanal
CID 58616718
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
5-butyl-1,2,3-tris-decoxybenzene
CID 91220912
5-nonyl-2-[6-(4-nonyl-2-sulfophenoxy)hexoxy]benzenesulfonic acid
CID 91030401

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine (CID 140758867) is 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine is CCCCCCCCCCCCCCCCCCCCCCCc1ccc(OCCOCN(C)C)c(Cc2cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc3cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc4cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc5cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc6cc(CCCCCCCCCCCCCCCCCCCCCCC)cc(Cc7cc(CCCCCCCCCCCCCCCCCCCCCCC)ccc7OCCOCN(C)C)c6OCCOCN(C)C)c5OCCOCN(C)C)c4OCCOCN(C)C)c3OCCOCN(C)C)c2OCCOCN(C)C)c1.
What is the InChIKey of 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine?
The InChIKey is NLPHBDUGUBJFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C244H441N7O14/c1-22-29-36-43-50-57-64-71-78-85-92-99-106-113-120-127-134-141-148-155-162-169-219-176-178-238(259-187-180-252-212-245(8)9)226(194-219)206-228-196-221(171-164-157-150-143-136-129-122-115-108-101-94-87-80-73-66-59-52-45-38-31-24-3)198-230(240(228)261-189-182-254-214-247(12)13)208-232-200-223(173-166-159-152-145-138-131-124-117-110-103-96-89-82-75-68-61-54-47-40-33-26-5)202-234(242(232)263-191-184-256-216-249(16)17)210-236-204-225(175-168-161-154-147-140-133-126-119-112-105-98-91-84-77-70-63-56-49-42-35-28-7)205-237(244(236)265-193-186-258-218-251(20)21)211-235-203-224(174-167-160-153-146-139-132-125-118-111-104-97-90-83-76-69-62-55-48-41-34-27-6)201-233(243(235)264-192-185-257-217-250(18)19)209-231-199-222(172-165-158-151-144-137-130-123-116-109-102-95-88-81-74-67-60-53-46-39-32-25-4)197-229(241(231)262-190-183-255-215-248(14)15)207-227-195-220(177-179-239(227)260-188-181-253-213-246(10)11)170-163-156-149-142-135-128-121-114-107-100-93-86-79-72-65-58-51-44-37-30-23-2/h176-179,194-205H,22-175,180-193,206-218H2,1-21H3.
What are the key properties of 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine?
1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine has a molecular weight of 3697.25 g/mol, XLogP of 71.91, 208 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-3-[[2-[2-[(dimethylamino)methoxy]ethoxy]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-5-tricosylphenyl]methyl]-4-tricosylphenoxy]ethoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 140758867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).