4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide

C20H31NO3 — CID 108796059

IUPAC4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H31NO3/c1-14-8-10-17(24-7)15(12-14)16(22)9-11-18(23)21-20(5,6)13-19(2,3)4/h8,10,12H,9,11,13H2,1-7H3,(H,21,23)
InChIKeyVLZHKRYPOGWQMA-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.30
Rot. Bonds7

About 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide

4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 108796059) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID108796059
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H31NO3/c1-14-8-10-17(24-7)15(12-14)16(22)9-11-18(23)21-20(5,6)13-19(2,3)4/h8,10,12H,9,11,13H2,1-7H3,(H,21,23)
InChIKeyVLZHKRYPOGWQMA-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.30
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
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 108795992
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
4-(2-methoxy-5-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35035900
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796041
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 108796059) is 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide is COc1ccc(C)cc1C(=O)CCC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is VLZHKRYPOGWQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-14-8-10-17(24-7)15(12-14)16(22)9-11-18(23)21-20(5,6)13-19(2,3)4/h8,10,12H,9,11,13H2,1-7H3,(H,21,23).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide?
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 333.47 g/mol, XLogP of 4.30, 7 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)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 108796059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).