N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride

C205H37ClN10O5 — CID 159167123

IUPACN-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(=O)NCCOCCNC(=O)c1ccc(N=[N+]=[N-])cc1.Cl.[N-]=[N+]=Nc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C181H4.C13H17N5O3.C11H15N5O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-10(19)15-6-8-21-9-7-16-13(20)11-2-4-12(5-3-11)17-18-14;12-5-7-18-8-6-14-11(17)9-1-3-10(4-2-9)15-16-13;/h1H,2H3;2-5H,6-9H2,1H3,(H,15,19)(H,16,20);1-4H,5-8,12H2,(H,14,17);1H
InChIKeyHUHFNPTWZISPMK-UHFFFAOYSA-N
MW2755.07 g/mol
LogP4.21
Rot. Bonds15

About N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride

N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride (PubChem CID 159167123) has the molecular formula C205H37ClN10O5 and a molecular weight of 2755.07 g/mol. Its IUPAC name is N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride
PubChem CID159167123
Molecular FormulaC205H37ClN10O5
Molecular Weight2755.07 g/mol
Exact Mass2752.26
IUPAC NameN-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(=O)NCCOCCNC(=O)c1ccc(N=[N+]=[N-])cc1.Cl.[N-]=[N+]=Nc1ccc(C(=O)NCCOCCN)cc1
InChIInChI=1S/C181H4.C13H17N5O3.C11H15N5O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-10(19)15-6-8-21-9-7-16-13(20)11-2-4-12(5-3-11)17-18-14;12-5-7-18-8-6-14-11(17)9-1-3-10(4-2-9)15-16-13;/h1H,2H3;2-5H,6-9H2,1H3,(H,15,19)(H,16,20);1-4H,5-8,12H2,(H,14,17);1H
InChIKeyHUHFNPTWZISPMK-UHFFFAOYSA-N
XLogP4.21
TPSA229.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms221
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002755.07
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride with MolForge

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
N-[4-(4-azidophenyl)-4-oxobutyl]acetamide;tetratetracontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142-henheptacontayne
CID 167612587
acetic acid;N-[2-(2-aminoethoxy)ethyl]acetamide;azidobenzene;2-[2-(methylamino)ethoxy]ethanamine;N-[2-[2-(methylamino)ethoxy]ethyl]acetamide;methylsulfanylmethane
CID 162121280
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
4-(2-aminoethoxy)-1-[4-(azidomethyl)phenyl]butan-1-one;tert-butyl 4-[4-[4-(azidomethyl)phenyl]-4-oxobutoxy]butanoate;pentahexacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163-dooctacontayne;hydrochloride
CID 158975751
4-azidobenzoic acid;4-azido-N-(3-trimethoxysilylpropyl)benzamide;methanol;3-trimethoxysilylpropan-1-amine
CID 162180891
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-(propan-2-ylideneamino)benzamide
CID 118012728
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
2-[(4-azidobenzoyl)amino]ethyl-diethyl-methylazanium
CID 10250562

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride?
The IUPAC name of N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride (CID 159167123) is N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride.
What is the SMILES notation for N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride?
The canonical SMILES for N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC(=O)NCCOCCNC(=O)c1ccc(N=[N+]=[N-])cc1.Cl.[N-]=[N+]=Nc1ccc(C(=O)NCCOCCN)cc1.
What is the InChIKey of N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride?
The InChIKey is HUHFNPTWZISPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C181H4.C13H17N5O3.C11H15N5O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-10(19)15-6-8-21-9-7-16-13(20)11-2-4-12(5-3-11)17-18-14;12-5-7-18-8-6-14-11(17)9-1-3-10(4-2-9)15-16-13;/h1H,2H3;2-5H,6-9H2,1H3,(H,15,19)(H,16,20);1-4H,5-8,12H2,(H,14,17);1H.
What are the key properties of N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride?
N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride has a molecular weight of 2755.07 g/mol, XLogP of 4.21, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetamidoethoxy)ethyl]-4-azidobenzamide;N-[2-(2-aminoethoxy)ethyl]-4-azidobenzamide;henoctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179-nonacontayne;hydrochloride is sourced from PubChem (CID 159167123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).