4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide

C23H28N2O3 — CID 46432968

IUPAC4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-22(27)25-19-10-8-18(9-11-19)17(4)24-23(28)13-12-21(26)20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyGDOSBIZRGYFDCJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.49
Rot. Bonds8

About 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide

4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide (PubChem CID 46432968) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
PubChem CID46432968
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-22(27)25-19-10-8-18(9-11-19)17(4)24-23(28)13-12-21(26)20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyGDOSBIZRGYFDCJ-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 120687054
N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796001
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 42981504
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542973
(2S)-2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119359794
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364
N-[4-[1-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]ethyl]phenyl]propanamide
CID 55656016
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
N-(2-amino-2-oxo-1-phenylethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51315387

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide (CID 46432968) is 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide is CCC(=O)Nc1ccc(C(C)NC(=O)CCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide?
The InChIKey is GDOSBIZRGYFDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-22(27)25-19-10-8-18(9-11-19)17(4)24-23(28)13-12-21(26)20-14-15(2)6-7-16(20)3/h6-11,14,17H,5,12-13H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide?
4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide is sourced from PubChem (CID 46432968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).