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

C26H28N2O3 — CID 46045989

IUPACN-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-26(30)28(18-21-7-5-6-19(2)16-21)23-12-8-20(9-13-23)17-25(29)27-22-10-14-24(31-3)15-11-22/h5-16H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyQYGJYNHFJKMTJJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.13
Rot. Bonds8

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

N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 46045989) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID46045989
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-26(30)28(18-21-7-5-6-19(2)16-21)23-12-8-20(9-13-23)17-25(29)27-22-10-14-24(31-3)15-11-22/h5-16H,4,17-18H2,1-3H3,(H,27,29)
InChIKeyQYGJYNHFJKMTJJ-UHFFFAOYSA-N
XLogP5.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide 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-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46052687
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46057086
1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea
CID 42706243
(E)-N-benzyl-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056572
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide (CID 46045989) is N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide is CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is QYGJYNHFJKMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-26(30)28(18-21-7-5-6-19(2)16-21)23-12-8-20(9-13-23)17-25(29)27-22-10-14-24(31-3)15-11-22/h5-16H,4,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 416.52 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46045989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).