N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide

C15H22N2O2 — CID 82830986

IUPACN-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCC1CN
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-12-5-2-4-11(12)8-16/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyKUNNCHJJCHXHTN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds4

About N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide

N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82830986) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
PubChem CID82830986
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCC1CN
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-12-5-2-4-11(12)8-16/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyKUNNCHJJCHXHTN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-[(2-chlorocyclopentyl)methyl]-2-methyl-3-nitrobenzamide
CID 114303186
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide (CID 82830986) is N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1CCCC1CN.
What is the InChIKey of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is KUNNCHJJCHXHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-12-5-2-4-11(12)8-16/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82830986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).