N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide

C15H21NO4 — CID 98783562

IUPACN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-10-2-4-13(5-3-10)20-9-15(19)16-12-6-11(8-17)14(18)7-12/h2-5,11-12,14,17-18H,6-9H2,1H3,(H,16,19)/t11-,12+,14+/m1/s1
InChIKeyOTSFWMIAKGBISC-DYEKYZERSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds5

About N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide (PubChem CID 98783562) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
PubChem CID98783562
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-10-2-4-13(5-3-10)20-9-15(19)16-12-6-11(8-17)14(18)7-12/h2-5,11-12,14,17-18H,6-9H2,1H3,(H,16,19)/t11-,12+,14+/m1/s1
InChIKeyOTSFWMIAKGBISC-DYEKYZERSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
CID 71785730
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide (CID 98783562) is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N[C@H]2C[C@H](CO)[C@@H](O)C2)cc1.
What is the InChIKey of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OTSFWMIAKGBISC-DYEKYZERSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-2-4-13(5-3-10)20-9-15(19)16-12-6-11(8-17)14(18)7-12/h2-5,11-12,14,17-18H,6-9H2,1H3,(H,16,19)/t11-,12+,14+/m1/s1.
What are the key properties of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide?
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 98783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).