N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide

C21H24N2O4 — CID 26618245

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-15-7-9-16(10-8-15)19(24)11-12-21(26)23(2)14-20(25)22-17-5-4-6-18(13-17)27-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyCEWFZMMVUVSISN-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.06
Rot. Bonds8

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 26618245) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID26618245
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24N2O4/c1-15-7-9-16(10-8-15)19(24)11-12-21(26)23(2)14-20(25)22-17-5-4-6-18(13-17)27-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyCEWFZMMVUVSISN-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290641
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7936435
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide (CID 26618245) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide is COc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is CEWFZMMVUVSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-7-9-16(10-8-15)19(24)11-12-21(26)23(2)14-20(25)22-17-5-4-6-18(13-17)27-3/h4-10,13H,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 368.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 26618245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).