N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide

C15H21NO2 — CID 107231871

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(CO)cc2)CCCC1
InChIInChI=1S/C15H21NO2/c1-15(8-2-3-9-15)14(18)16-10-12-4-6-13(11-17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyJKMDLIBUFZDMCJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 107231871) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID107231871
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(CO)cc2)CCCC1
InChIInChI=1S/C15H21NO2/c1-15(8-2-3-9-15)14(18)16-10-12-4-6-13(11-17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyJKMDLIBUFZDMCJ-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106827980
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
4-[4-[[(1-methylcycloheptanecarbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527502
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide (CID 107231871) is N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2ccc(CO)cc2)CCCC1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is JKMDLIBUFZDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(8-2-3-9-15)14(18)16-10-12-4-6-13(11-17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107231871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).