N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide

C24H30N2O2 — CID 123229576

IUPACN-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)CC3C2)cc1
InChIInChI=1S/C24H30N2O2/c1-18(27)25-23-9-7-19(8-10-23)11-12-26-16-21-14-24(28,15-22(21)17-26)13-20-5-3-2-4-6-20/h2-10,21-22,28H,11-17H2,1H3,(H,25,27)
InChIKeyLMWFBBHXMVUNTF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide

N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide (PubChem CID 123229576) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide
PubChem CID123229576
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)CC3C2)cc1
InChIInChI=1S/C24H30N2O2/c1-18(27)25-23-9-7-19(8-10-23)11-12-26-16-21-14-24(28,15-22(21)17-26)13-20-5-3-2-4-6-20/h2-10,21-22,28H,11-17H2,1H3,(H,25,27)
InChIKeyLMWFBBHXMVUNTF-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-[(3aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethyl]-2-pyridinyl]acetamide
CID 144818980
2-[2-(4-hydroxyphenyl)ethyl]-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123595990
3-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]-1H-pyridazin-6-one
CID 123931976
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
2-[(3aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone
CID 144818927
2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-methoxyphenyl)ethanone
CID 123728742
N-[4-[2-(6-methyl-6-phenyl-1,3-oxazinan-3-yl)ethyl]phenyl]acetamide
CID 110180865
N-[4-[[4-[(3S)-2-oxo-1-(2-phenylethyl)azepan-3-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95832143
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide (CID 123229576) is N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCN2CC3CC(O)(Cc4ccccc4)CC3C2)cc1.
What is the InChIKey of N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide?
The InChIKey is LMWFBBHXMVUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(27)25-23-9-7-19(8-10-23)11-12-26-16-21-14-24(28,15-22(21)17-26)13-20-5-3-2-4-6-20/h2-10,21-22,28H,11-17H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide?
N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 123229576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).