N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide

C17H23NO3 — CID 111972017

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C17H23NO3/c1-12(14-4-3-5-16(10-14)21-2)8-17(20)18-15-7-6-13(9-15)11-19/h3-7,10,12-13,15,19H,8-9,11H2,1-2H3,(H,18,20)/t12?,13-,15+/m0/s1
InChIKeyGREZKDGXIDBLCA-RGPPAHDHSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds6

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide (PubChem CID 111972017) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
PubChem CID111972017
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(C)CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1
InChIInChI=1S/C17H23NO3/c1-12(14-4-3-5-16(10-14)21-2)8-17(20)18-15-7-6-13(9-15)11-19/h3-7,10,12-13,15,19H,8-9,11H2,1-2H3,(H,18,20)/t12?,13-,15+/m0/s1
InChIKeyGREZKDGXIDBLCA-RGPPAHDHSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 111696739
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
1-cyclohexyl-3-(3-methoxyphenyl)butan-1-one
CID 123909157
(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
CID 71973986
(3R)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
CID 98284984
(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
CID 98284985
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide (CID 111972017) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide is COc1cccc(C(C)CC(=O)N[C@@H]2C=C[C@H](CO)C2)c1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide?
The InChIKey is GREZKDGXIDBLCA-RGPPAHDHSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(14-4-3-5-16(10-14)21-2)8-17(20)18-15-7-6-13(9-15)11-19/h3-7,10,12-13,15,19H,8-9,11H2,1-2H3,(H,18,20)/t12?,13-,15+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 111972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).