N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide

C16H24N2O2 — CID 63754048

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCC(C)C2)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-13(14(19)8-11)15(20)18-16(10-17)7-3-4-12(2)9-16/h5-6,8,12,19H,3-4,7,9-10,17H2,1-2H3,(H,18,20)
InChIKeyXWGPQCVNKIKGNR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide (PubChem CID 63754048) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
PubChem CID63754048
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCC(C)C2)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-13(14(19)8-11)15(20)18-16(10-17)7-3-4-12(2)9-16/h5-6,8,12,19H,3-4,7,9-10,17H2,1-2H3,(H,18,20)
InChIKeyXWGPQCVNKIKGNR-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
N-[1-(aminomethyl)-3-methylcyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672843
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-fluoro-4-methylbenzamide
CID 114304122
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
2-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-5-methylbenzamide
CID 114314843
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 63767056

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide (CID 63754048) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2(CN)CCCC(C)C2)c(O)c1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is XWGPQCVNKIKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-13(14(19)8-11)15(20)18-16(10-17)7-3-4-12(2)9-16/h5-6,8,12,19H,3-4,7,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 63754048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).