N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide

C14H20N2O2 — CID 107672060

IUPACN-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CN)CCCC2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-10-8-11(4-5-12(10)17)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyNXLPCHFRHVSDRB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide

N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide (PubChem CID 107672060) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
PubChem CID107672060
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC2(CN)CCCC2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-10-8-11(4-5-12(10)17)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyNXLPCHFRHVSDRB-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119567983

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide (CID 107672060) is N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC2(CN)CCCC2)ccc1O.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is NXLPCHFRHVSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-11(4-5-12(10)17)13(18)16-14(9-15)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).