3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide

C17H24N2O3 — CID 111460374

IUPAC3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCC(O)C2)ccc1C
InChIInChI=1S/C17H24N2O3/c1-11-6-7-14(9-16(11)19-12(2)20)17(22)18-10-13-4-3-5-15(21)8-13/h6-7,9,13,15,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyQLKZRWWFEZASFR-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.23
Rot. Bonds4

About 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide

3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide (PubChem CID 111460374) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
PubChem CID111460374
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)NCC2CCCC(O)C2)ccc1C
InChIInChI=1S/C17H24N2O3/c1-11-6-7-14(9-16(11)19-12(2)20)17(22)18-10-13-4-3-5-15(21)8-13/h6-7,9,13,15,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyQLKZRWWFEZASFR-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23912725
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
4-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]-4-oxobutanamide
CID 111460092

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide (CID 111460374) is 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)NCC2CCCC(O)C2)ccc1C.
What is the InChIKey of 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The InChIKey is QLKZRWWFEZASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-6-7-14(9-16(11)19-12(2)20)17(22)18-10-13-4-3-5-15(21)8-13/h6-7,9,13,15,21H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide?
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 111460374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).