3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide

C18H26N2O2 — CID 28914942

IUPAC3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N[C@H]2C[C@@H](C)CC[C@@H]2C)ccc1C
InChIInChI=1S/C18H26N2O2/c1-11-5-6-12(2)16(9-11)20-18(22)15-8-7-13(3)17(10-15)19-14(4)21/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)/t11-,12-,16-/m0/s1
InChIKeyQFBYVEDMPNEUNS-MKBNYLNASA-N
MW302.42 g/mol
LogP3.51
Rot. Bonds3

About 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide

3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide (PubChem CID 28914942) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide
PubChem CID28914942
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)N[C@H]2C[C@@H](C)CC[C@@H]2C)ccc1C
InChIInChI=1S/C18H26N2O2/c1-11-5-6-12(2)16(9-11)20-18(22)15-8-7-13(3)17(10-15)19-14(4)21/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)/t11-,12-,16-/m0/s1
InChIKeyQFBYVEDMPNEUNS-MKBNYLNASA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide with MolForge

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Related Compounds

cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
N-(2,5-dimethylcyclohexyl)-4-iodobenzamide
CID 4265183
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 62331665
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide (CID 28914942) is 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)N[C@H]2C[C@@H](C)CC[C@@H]2C)ccc1C.
What is the InChIKey of 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide?
The InChIKey is QFBYVEDMPNEUNS-MKBNYLNASA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11-5-6-12(2)16(9-11)20-18(22)15-8-7-13(3)17(10-15)19-14(4)21/h7-8,10-12,16H,5-6,9H2,1-4H3,(H,19,21)(H,20,22)/t11-,12-,16-/m0/s1.
What are the key properties of 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide?
3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1S,2S,5S)-2,5-dimethylcyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 28914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).