7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide

C28H43NO3 — CID 135639142

IUPAC7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide
SMILESCCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C28H43NO3/c1-2-3-7-14-25(30)19-17-24-18-20-27(31)26(24)15-10-4-5-11-16-28(32)29-22-21-23-12-8-6-9-13-23/h6,8-9,12-13,17,19,24-26,30H,2-5,7,10-11,14-16,18,20-22H2,1H3,(H,29,32)/b19-17+/t24-,25+,26+/m0/s1
InChIKeyCOGZGMNTPXRPRY-LFYATDHWSA-N
MW441.66 g/mol
LogP5.78
Rot. Bonds16

About 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide

7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide (PubChem CID 135639142) has the molecular formula C28H43NO3 and a molecular weight of 441.66 g/mol. Its IUPAC name is 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide.

Molecular Properties

Compound Name7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide
PubChem CID135639142
Molecular FormulaC28H43NO3
Molecular Weight441.66 g/mol
Exact Mass441.32
IUPAC Name7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide
SMILESCCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C28H43NO3/c1-2-3-7-14-25(30)19-17-24-18-20-27(31)26(24)15-10-4-5-11-16-28(32)29-22-21-23-12-8-6-9-13-23/h6,8-9,12-13,17,19,24-26,30H,2-5,7,10-11,14-16,18,20-22H2,1H3,(H,29,32)/b19-17+/t24-,25+,26+/m0/s1
InChIKeyCOGZGMNTPXRPRY-LFYATDHWSA-N
XLogP5.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide 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

7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]-N-[2-(4-methoxyphenyl)ethyl]heptanamide
CID 3664333
7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]-N-[(4-methoxyphenyl)methyl]heptanamide
CID 3808302
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-7-[(1R,2S)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanamide
CID 162907903
4-[[7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 3487933
(2R,3R)-2-[7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoylamino]-3-methylpentanoic acid
CID 25425026
methyl 3-hydroxy-2-[7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoylamino]propanoate
CID 3369543
2-[5-[(1R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]pentylsulfanyl]acetic acid
CID 90679496
7-[(1S,2R)-2-[(E)-3-hydroxydec-1-enyl]-5-oxocyclopentyl]hept-4-enoic acid
CID 70601999
trans-(2R,3R)-2-(7-dimethoxyphosphorylheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 22808740
N-(2-hydroxyethyl)-7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanamide
CID 53394119
trans-(2R,3R)-2-[7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-7-oxoheptyl]-3-[(3R)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 71964303
4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide
CID 123659272

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide?
The IUPAC name of 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide (CID 135639142) is 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide.
What is the SMILES notation for 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide?
The canonical SMILES for 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide is CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1.
What is the InChIKey of 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide?
The InChIKey is COGZGMNTPXRPRY-LFYATDHWSA-N. The full InChI is InChI=1S/C28H43NO3/c1-2-3-7-14-25(30)19-17-24-18-20-27(31)26(24)15-10-4-5-11-16-28(32)29-22-21-23-12-8-6-9-13-23/h6,8-9,12-13,17,19,24-26,30H,2-5,7,10-11,14-16,18,20-22H2,1H3,(H,29,32)/b19-17+/t24-,25+,26+/m0/s1.
What are the key properties of 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide?
7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide has a molecular weight of 441.66 g/mol, XLogP of 5.78, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-N-(2-phenylethyl)heptanamide is sourced from PubChem (CID 135639142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).