N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide

C14H19NO3 — CID 95983830

IUPACN-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-18-13-7-5-10(6-8-13)14(17)15-11-3-2-4-12(16)9-11/h5-8,11-12,16H,2-4,9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyIDABZOSCWAOKQL-RYUDHWBXSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds3

About N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide

N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide (PubChem CID 95983830) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
PubChem CID95983830
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-18-13-7-5-10(6-8-13)14(17)15-11-3-2-4-12(16)9-11/h5-8,11-12,16H,2-4,9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyIDABZOSCWAOKQL-RYUDHWBXSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxycyclohexyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71786236
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-[(1R,3S)-3-aminocyclohexyl]-4-methoxybenzamide;[(1S,3R)-3-[(4-methoxybenzoyl)amino]cyclohexyl]methyl-methylborinic acid;hydrochloride
CID 167595966
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
4-methoxy-N-[(1S,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461459
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
CID 146504792
N-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide?
The IUPAC name of N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide (CID 95983830) is N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCC[C@H](O)C2)cc1.
What is the InChIKey of N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide?
The InChIKey is IDABZOSCWAOKQL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-13-7-5-10(6-8-13)14(17)15-11-3-2-4-12(16)9-11/h5-8,11-12,16H,2-4,9H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide?
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 95983830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).