N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide

C21H26N2O2 — CID 108954333

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-5-23(17-10-8-9-16(4)13-17)21(25)14-20(24)22-19-12-7-6-11-18(19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyVBBPZNNLIPIJKB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.50
Rot. Bonds6

About N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide

N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108954333) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
PubChem CID108954333
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccccc1C(C)C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O2/c1-5-23(17-10-8-9-16(4)13-17)21(25)14-20(24)22-19-12-7-6-11-18(19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24)
InChIKeyVBBPZNNLIPIJKB-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide 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-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108956025
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide (CID 108954333) is N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide is CCN(C(=O)CC(=O)Nc1ccccc1C(C)C)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is VBBPZNNLIPIJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-23(17-10-8-9-16(4)13-17)21(25)14-20(24)22-19-12-7-6-11-18(19)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,22,24).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide?
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).