4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide

C22H26N2O3 — CID 9494110

IUPAC4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-15-6-9-18(10-7-15)23-21(26)14-24(4)22(27)12-11-20(25)19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,23,26)
InChIKeyPPCXJZBHCKRQED-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.67
Rot. Bonds7

About 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide (PubChem CID 9494110) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
PubChem CID9494110
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-15-6-9-18(10-7-15)23-21(26)14-24(4)22(27)12-11-20(25)19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,23,26)
InChIKeyPPCXJZBHCKRQED-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 9426396
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863
4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542973
2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9494412
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9087810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51160449
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide (CID 9494110) is 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide?
The InChIKey is PPCXJZBHCKRQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-6-9-18(10-7-15)23-21(26)14-24(4)22(27)12-11-20(25)19-13-16(2)5-8-17(19)3/h5-10,13H,11-12,14H2,1-4H3,(H,23,26).
What are the key properties of 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide is sourced from PubChem (CID 9494110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).