4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide

C20H29NO3 — CID 110614236

IUPAC4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CCC2CCCCO2)cc1C
InChIInChI=1S/C20H29NO3/c1-15-7-8-17(14-16(15)2)19(22)9-10-20(23)21(3)12-11-18-6-4-5-13-24-18/h7-8,14,18H,4-6,9-13H2,1-3H3
InChIKeyBBDUSPXRRIDSRY-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.68
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide (PubChem CID 110614236) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
PubChem CID110614236
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CCC2CCCCO2)cc1C
InChIInChI=1S/C20H29NO3/c1-15-7-8-17(14-16(15)2)19(22)9-10-20(23)21(3)12-11-18-6-4-5-13-24-18/h7-8,14,18H,4-6,9-13H2,1-3H3
InChIKeyBBDUSPXRRIDSRY-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 94284352
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
1-(3-chloro-4-methylphenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976767
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 45169089

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide (CID 110614236) is 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)N(C)CCC2CCCCO2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide?
The InChIKey is BBDUSPXRRIDSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-15-7-8-17(14-16(15)2)19(22)9-10-20(23)21(3)12-11-18-6-4-5-13-24-18/h7-8,14,18H,4-6,9-13H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide has a molecular weight of 331.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).