N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide

C15H22N2O2 — CID 106124188

IUPACN-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(N)CC2)c1O
InChIInChI=1S/C15H22N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-4,11-12,18H,5-9,16H2,1H3,(H,17,19)
InChIKeyJZVMGNCJKKKOHC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide

N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 106124188) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
PubChem CID106124188
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(N)CC2)c1O
InChIInChI=1S/C15H22N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-4,11-12,18H,5-9,16H2,1H3,(H,17,19)
InChIKeyJZVMGNCJKKKOHC-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 81040165
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide (CID 106124188) is N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCC2CCC(N)CC2)c1O.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is JZVMGNCJKKKOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-4,11-12,18H,5-9,16H2,1H3,(H,17,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide?
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 106124188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).