4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide

C19H27NO3 — CID 108796049

IUPAC4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1C
InChIInChI=1S/C19H27NO3/c1-13-8-10-18(23-3)15(12-13)17(21)9-11-19(22)20-16-7-5-4-6-14(16)2/h8,10,12,14,16H,4-7,9,11H2,1-3H3,(H,20,22)
InChIKeyOUACZPAMZUIVTQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.66
Rot. Bonds6

About 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide

4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide (PubChem CID 108796049) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
PubChem CID108796049
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1C
InChIInChI=1S/C19H27NO3/c1-13-8-10-18(23-3)15(12-13)17(21)9-11-19(22)20-16-7-5-4-6-14(16)2/h8,10,12,14,16H,4-7,9,11H2,1-3H3,(H,20,22)
InChIKeyOUACZPAMZUIVTQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 25436323
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120553639
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide (CID 108796049) is 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide?
The InChIKey is OUACZPAMZUIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13-8-10-18(23-3)15(12-13)17(21)9-11-19(22)20-16-7-5-4-6-14(16)2/h8,10,12,14,16H,4-7,9,11H2,1-3H3,(H,20,22).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide?
4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide has a molecular weight of 317.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide is sourced from PubChem (CID 108796049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).