N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide

C23H29NO — CID 42702375

IUPACN-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESC/C(=C\c1ccccc1)CN(CC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C23H29NO/c1-19(2)17-24(18-20(3)16-22-12-8-5-9-13-22)23(25)15-14-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18H2,1-3H3/b20-16+
InChIKeyCQRTVZAXIBJVQK-CAPFRKAQSA-N
MW335.49 g/mol
LogP5.21
Rot. Bonds8

About N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide

N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 42702375) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID42702375
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESC/C(=C\c1ccccc1)CN(CC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C23H29NO/c1-19(2)17-24(18-20(3)16-22-12-8-5-9-13-22)23(25)15-14-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18H2,1-3H3/b20-16+
InChIKeyCQRTVZAXIBJVQK-CAPFRKAQSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide 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-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 85152203
4-ethyl-N-(2-methyl-3-phenylprop-2-enyl)-N-(2-methylpropyl)benzamide
CID 73074312
2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)acetamide
CID 42702376
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
2-[3-(4-chlorophenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192835
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
2-[3-[3-(methylcarbamoyl)phenyl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 120517155
6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide
CID 6247566
2-[2-methylpropyl-[3-[4-(methylsulfamoyl)phenyl]propanoyl]amino]acetic acid
CID 119192719

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide (CID 42702375) is N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide is C/C(=C\c1ccccc1)CN(CC(C)C)C(=O)CCc1ccccc1.
What is the InChIKey of N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is CQRTVZAXIBJVQK-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H29NO/c1-19(2)17-24(18-20(3)16-22-12-8-5-9-13-22)23(25)15-14-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18H2,1-3H3/b20-16+.
What are the key properties of N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide?
N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 335.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 42702375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).