N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide

C16H23NO4 — CID 98783683

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-21-14-5-2-11(3-6-14)4-7-16(20)17-13-8-12(10-18)15(19)9-13/h2-3,5-6,12-13,15,18-19H,4,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m0/s1
InChIKeyWJYKHZHVDJWFHN-YDHLFZDLSA-N
MW293.36 g/mol
LogP0.88
Rot. Bonds6

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 98783683) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
PubChem CID98783683
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-21-14-5-2-11(3-6-14)4-7-16(20)17-13-8-12(10-18)15(19)9-13/h2-3,5-6,12-13,15,18-19H,4,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m0/s1
InChIKeyWJYKHZHVDJWFHN-YDHLFZDLSA-N
XLogP0.88
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97040062
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040111
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 71785787
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040108
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide (CID 98783683) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)cc1.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WJYKHZHVDJWFHN-YDHLFZDLSA-N. The full InChI is InChI=1S/C16H23NO4/c1-21-14-5-2-11(3-6-14)4-7-16(20)17-13-8-12(10-18)15(19)9-13/h2-3,5-6,12-13,15,18-19H,4,7-10H2,1H3,(H,17,20)/t12-,13-,15-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 293.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 98783683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).