N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide

C25H35NO — CID 69102855

IUPACN-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCCCC(CC)CN(CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H35NO/c1-3-5-12-22(4-2)21-26(20-19-24-15-10-7-11-16-24)25(27)18-17-23-13-8-6-9-14-23/h6-11,13-16,22H,3-5,12,17-21H2,1-2H3
InChIKeyNDFJHEQOERIJKI-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.91
Rot. Bonds12

About N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide

N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 69102855) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID69102855
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC NameN-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCCCCC(CC)CN(CCc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H35NO/c1-3-5-12-22(4-2)21-26(20-19-24-15-10-7-11-16-24)25(27)18-17-23-13-8-6-9-14-23/h6-11,13-16,22H,3-5,12,17-21H2,1-2H3
InChIKeyNDFJHEQOERIJKI-UHFFFAOYSA-N
XLogP5.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide (CID 69102855) is N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide is CCCCC(CC)CN(CCc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is NDFJHEQOERIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-3-5-12-22(4-2)21-26(20-19-24-15-10-7-11-16-24)25(27)18-17-23-13-8-6-9-14-23/h6-11,13-16,22H,3-5,12,17-21H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide?
N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 365.56 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 69102855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).