N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide

C16H23NO4 — CID 62519503

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-4-6-14(7-5-13)21-11-8-15(19)17-16(12-18)9-2-3-10-16/h4-7,18H,2-3,8-12H2,1H3,(H,17,19)
InChIKeyXLEFYGQUYVFHIR-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.89
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide

N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 62519503) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID62519503
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-4-6-14(7-5-13)21-11-8-15(19)17-16(12-18)9-2-3-10-16/h4-7,18H,2-3,8-12H2,1H3,(H,17,19)
InChIKeyXLEFYGQUYVFHIR-UHFFFAOYSA-N
XLogP1.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide (CID 62519503) is N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is XLEFYGQUYVFHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-4-6-14(7-5-13)21-11-8-15(19)17-16(12-18)9-2-3-10-16/h4-7,18H,2-3,8-12H2,1H3,(H,17,19).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 293.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 62519503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).