N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide

C26H27N3O3 — CID 3895120

IUPACN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-20-9-8-14-23(15-20)28-24(30)17-27-25(31)19-29(18-22-12-6-3-7-13-22)26(32)16-21-10-4-2-5-11-21/h2-15H,16-19H2,1H3,(H,27,31)(H,28,30)
InChIKeyZULJQQBQWMDMHM-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.32
Rot. Bonds9

About N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide

N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 3895120) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID3895120
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-20-9-8-14-23(15-20)28-24(30)17-27-25(31)19-29(18-22-12-6-3-7-13-22)26(32)16-21-10-4-2-5-11-21/h2-15H,16-19H2,1H3,(H,27,31)(H,28,30)
InChIKeyZULJQQBQWMDMHM-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide 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-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4620611
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3887370
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[(4-fluorophenyl)methyl]-3,5,5-trimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4238055
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-(furan-2-ylmethyl)-3-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 3887982
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5217204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 3895120) is N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is ZULJQQBQWMDMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-20-9-8-14-23(15-20)28-24(30)17-27-25(31)19-29(18-22-12-6-3-7-13-22)26(32)16-21-10-4-2-5-11-21/h2-15H,16-19H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide?
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 3895120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).