N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide

C18H27NO3 — CID 110008578

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
SMILESCCC(CC(=O)NC1(CO)CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H27NO3/c1-3-14(15-6-8-16(22-2)9-7-15)12-17(21)19-18(13-20)10-4-5-11-18/h6-9,14,20H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyQHFCSHQQPOXCCU-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide

N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide (PubChem CID 110008578) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
PubChem CID110008578
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
SMILESCCC(CC(=O)NC1(CO)CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C18H27NO3/c1-3-14(15-6-8-16(22-2)9-7-15)12-17(21)19-18(13-20)10-4-5-11-18/h6-9,14,20H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyQHFCSHQQPOXCCU-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119567108
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
4-[[3-(4-methoxyphenyl)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120690092
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
2-(2-bromo-5-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008417
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
3-[3-(4-methoxyphenyl)pentanoylamino]-2,2-dimethylpropanoic acid
CID 120687909
3-cyclopropyl-2-[3-(4-methoxyphenyl)pentanoylamino]propanoic acid
CID 120689554
2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
CID 120686853
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide (CID 110008578) is N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide is CCC(CC(=O)NC1(CO)CCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide?
The InChIKey is QHFCSHQQPOXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-14(15-6-8-16(22-2)9-7-15)12-17(21)19-18(13-20)10-4-5-11-18/h6-9,14,20H,3-5,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide has a molecular weight of 305.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110008578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).