2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione

C142H226N20O40 — CID 89027525

IUPAC2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C142H226N20O40/c1-3-104(124(164)144-6-46-184-47-7-144)85-106(126(166)146-10-50-186-51-11-146)87-108(128(168)148-14-54-188-55-15-148)89-110(130(170)150-18-58-190-59-19-150)91-112(132(172)152-22-62-192-63-23-152)93-114(134(174)154-26-66-194-67-27-154)95-116(136(176)156-30-70-196-71-31-156)97-118(138(178)158-34-74-198-75-35-158)99-120(140(180)160-38-78-200-79-39-160)101-122(142(182)162-42-82-202-83-43-162)102-121(141(181)161-40-80-201-81-41-161)100-119(139(179)159-36-76-199-77-37-159)98-117(137(177)157-32-72-197-73-33-157)96-115(135(175)155-28-68-195-69-29-155)94-113(133(173)153-24-64-193-65-25-153)92-111(131(171)151-20-60-191-61-21-151)90-109(129(169)149-16-56-189-57-17-149)88-107(127(167)147-12-52-187-53-13-147)86-105(125(165)145-8-48-185-49-9-145)84-103(2)123(163)143-4-44-183-45-5-143/h103-122H,3-102H2,1-2H3
InChIKeyPRIQLDSHMKHSIW-UHFFFAOYSA-N
MW2853.47 g/mol
LogP-1.67
Rot. Bonds59

About 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione

2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione (PubChem CID 89027525) has the molecular formula C142H226N20O40 and a molecular weight of 2853.47 g/mol. Its IUPAC name is 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione.

Molecular Properties

Compound Name2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione
PubChem CID89027525
Molecular FormulaC142H226N20O40
Molecular Weight2853.47 g/mol
Exact Mass2851.63
IUPAC Name2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C142H226N20O40/c1-3-104(124(164)144-6-46-184-47-7-144)85-106(126(166)146-10-50-186-51-11-146)87-108(128(168)148-14-54-188-55-15-148)89-110(130(170)150-18-58-190-59-19-150)91-112(132(172)152-22-62-192-63-23-152)93-114(134(174)154-26-66-194-67-27-154)95-116(136(176)156-30-70-196-71-31-156)97-118(138(178)158-34-74-198-75-35-158)99-120(140(180)160-38-78-200-79-39-160)101-122(142(182)162-42-82-202-83-43-162)102-121(141(181)161-40-80-201-81-41-161)100-119(139(179)159-36-76-199-77-37-159)98-117(137(177)157-32-72-197-73-33-157)96-115(135(175)155-28-68-195-69-29-155)94-113(133(173)153-24-64-193-65-25-153)92-111(131(171)151-20-60-191-61-21-151)90-109(129(169)149-16-56-189-57-17-149)88-107(127(167)147-12-52-187-53-13-147)86-105(125(165)145-8-48-185-49-9-145)84-103(2)123(163)143-4-44-183-45-5-143/h103-122H,3-102H2,1-2H3
InChIKeyPRIQLDSHMKHSIW-UHFFFAOYSA-N
XLogP-1.67
TPSA590.80 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002853.47
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione?
The IUPAC name of 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione (CID 89027525) is 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione.
What is the SMILES notation for 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione?
The canonical SMILES for 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione is CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione?
The InChIKey is PRIQLDSHMKHSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H226N20O40/c1-3-104(124(164)144-6-46-184-47-7-144)85-106(126(166)146-10-50-186-51-11-146)87-108(128(168)148-14-54-188-55-15-148)89-110(130(170)150-18-58-190-59-19-150)91-112(132(172)152-22-62-192-63-23-152)93-114(134(174)154-26-66-194-67-27-154)95-116(136(176)156-30-70-196-71-31-156)97-118(138(178)158-34-74-198-75-35-158)99-120(140(180)160-38-78-200-79-39-160)101-122(142(182)162-42-82-202-83-43-162)102-121(141(181)161-40-80-201-81-41-161)100-119(139(179)159-36-76-199-77-37-159)98-117(137(177)157-32-72-197-73-33-157)96-115(135(175)155-28-68-195-69-29-155)94-113(133(173)153-24-64-193-65-25-153)92-111(131(171)151-20-60-191-61-21-151)90-109(129(169)149-16-56-189-57-17-149)88-107(127(167)147-12-52-187-53-13-147)86-105(125(165)145-8-48-185-49-9-145)84-103(2)123(163)143-4-44-183-45-5-143/h103-122H,3-102H2,1-2H3.
What are the key properties of 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione?
2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione has a molecular weight of 2853.47 g/mol, XLogP of -1.67, 59 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-40-methyl-4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-octadecakis(morpholine-4-carbonyl)-1,41-dimorpholin-4-ylhentetracontane-1,41-dione is sourced from PubChem (CID 89027525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).