N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide

C14H19NO2 — CID 78962026

IUPACN-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(O)c2)CCCC1
InChIInChI=1S/C14H19NO2/c1-14(7-2-3-8-14)13(17)15-10-11-5-4-6-12(16)9-11/h4-6,9,16H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyCFVWBBPXVPITMJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide

N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 78962026) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID78962026
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(O)c2)CCCC1
InChIInChI=1S/C14H19NO2/c1-14(7-2-3-8-14)13(17)15-10-11-5-4-6-12(16)9-11/h4-6,9,16H,2-3,7-8,10H2,1H3,(H,15,17)
InChIKeyCFVWBBPXVPITMJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106827980
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide (CID 78962026) is N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2cccc(O)c2)CCCC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is CFVWBBPXVPITMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(7-2-3-8-14)13(17)15-10-11-5-4-6-12(16)9-11/h4-6,9,16H,2-3,7-8,10H2,1H3,(H,15,17).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide?
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 78962026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).