N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide

C15H21NO3 — CID 103691139

IUPACN-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-19-14-7-5-12(6-8-14)15(18)16-10-11-3-2-4-13(17)9-11/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyKRONZFLFPRDUJD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide

N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 103691139) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
PubChem CID103691139
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-19-14-7-5-12(6-8-14)15(18)16-10-11-3-2-4-13(17)9-11/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyKRONZFLFPRDUJD-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 106132313
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide (CID 103691139) is N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC(O)C2)cc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is KRONZFLFPRDUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14-7-5-12(6-8-14)15(18)16-10-11-3-2-4-13(17)9-11/h5-8,11,13,17H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 103691139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).