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

C15H22N2O2 — CID 115365565

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CN)CCCC2)cc1O
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(8-13(11)18)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeySTISQGHDGYTCQX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide (PubChem CID 115365565) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
PubChem CID115365565
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CN)CCCC2)cc1O
InChIInChI=1S/C15H22N2O2/c1-11-4-5-12(8-13(11)18)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeySTISQGHDGYTCQX-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
CID 103970199
N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115267482
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide (CID 115365565) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CN)CCCC2)cc1O.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is STISQGHDGYTCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-12(8-13(11)18)14(19)17-10-15(9-16)6-2-3-7-15/h4-5,8,18H,2-3,6-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 115365565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).