2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide

C16H23NO3 — CID 61380888

IUPAC2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCC(C)CC2)c1O
InChIInChI=1S/C16H23NO3/c1-11-6-8-12(9-7-11)10-17-16(19)13-4-3-5-14(20-2)15(13)18/h3-5,11-12,18H,6-10H2,1-2H3,(H,17,19)
InChIKeyFASYLRPTNJXCJO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.96
Rot. Bonds4

About 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide

2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide (PubChem CID 61380888) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
PubChem CID61380888
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCC(C)CC2)c1O
InChIInChI=1S/C16H23NO3/c1-11-6-8-12(9-7-11)10-17-16(19)13-4-3-5-14(20-2)15(13)18/h3-5,11-12,18H,6-10H2,1-2H3,(H,17,19)
InChIKeyFASYLRPTNJXCJO-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 106132057
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-hydroxy-3-methoxybenzamide
CID 114314856
2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 82732402

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide (CID 61380888) is 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide is COc1cccc(C(=O)NCC2CCC(C)CC2)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide?
The InChIKey is FASYLRPTNJXCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-8-12(9-7-11)10-17-16(19)13-4-3-5-14(20-2)15(13)18/h3-5,11-12,18H,6-10H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide?
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 61380888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).