N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide

C16H24N2O2 — CID 103970199

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyORNFMYYWHPJMJO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide (PubChem CID 103970199) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
PubChem CID103970199
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2(CN)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyORNFMYYWHPJMJO-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 113295147
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide (CID 103970199) is N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC2(CN)CCCCC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is ORNFMYYWHPJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-14(19)13(9-12)15(20)18-11-16(10-17)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 103970199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).