N'-methyl-2,3-bis(2-phenylpropyl)butanediamide

C23H30N2O2 — CID 21050041

IUPACN'-methyl-2,3-bis(2-phenylpropyl)butanediamide
SMILESCNC(=O)C(CC(C)c1ccccc1)C(CC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C23H30N2O2/c1-16(18-10-6-4-7-11-18)14-20(22(24)26)21(23(27)25-3)15-17(2)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3,(H2,24,26)(H,25,27)
InChIKeyHKAOWODBMALTMY-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.84
Rot. Bonds9

About N'-methyl-2,3-bis(2-phenylpropyl)butanediamide

N'-methyl-2,3-bis(2-phenylpropyl)butanediamide (PubChem CID 21050041) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N'-methyl-2,3-bis(2-phenylpropyl)butanediamide.

Molecular Properties

Compound NameN'-methyl-2,3-bis(2-phenylpropyl)butanediamide
PubChem CID21050041
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN'-methyl-2,3-bis(2-phenylpropyl)butanediamide
SMILESCNC(=O)C(CC(C)c1ccccc1)C(CC(C)c1ccccc1)C(N)=O
InChIInChI=1S/C23H30N2O2/c1-16(18-10-6-4-7-11-18)14-20(22(24)26)21(23(27)25-3)15-17(2)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3,(H2,24,26)(H,25,27)
InChIKeyHKAOWODBMALTMY-UHFFFAOYSA-N
XLogP3.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-methyl-2,3-bis(2-phenylpropyl)butanediamide 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

4-phenyl-2-propan-2-ylpentanoic acid
CID 67132291
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2-amino-N-methyl-3-phenylbutanamide
CID 70068325
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
3-methyl-5-phenylhexan-2-one
CID 22898138
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
methyl 3-hydroxy-2-methyl-5-phenylhexanoate
CID 62394189
sodium 3-carboxy-2-methyl-5-phenylhexanoate
CID 101273649
[(2R)-2-phenylpropyl] carbamate
CID 175384997
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2,3-bis(2-phenylpropyl)butanediamide?
The IUPAC name of N'-methyl-2,3-bis(2-phenylpropyl)butanediamide (CID 21050041) is N'-methyl-2,3-bis(2-phenylpropyl)butanediamide.
What is the SMILES notation for N'-methyl-2,3-bis(2-phenylpropyl)butanediamide?
The canonical SMILES for N'-methyl-2,3-bis(2-phenylpropyl)butanediamide is CNC(=O)C(CC(C)c1ccccc1)C(CC(C)c1ccccc1)C(N)=O.
What is the InChIKey of N'-methyl-2,3-bis(2-phenylpropyl)butanediamide?
The InChIKey is HKAOWODBMALTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(18-10-6-4-7-11-18)14-20(22(24)26)21(23(27)25-3)15-17(2)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3,(H2,24,26)(H,25,27).
What are the key properties of N'-methyl-2,3-bis(2-phenylpropyl)butanediamide?
N'-methyl-2,3-bis(2-phenylpropyl)butanediamide has a molecular weight of 366.51 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2,3-bis(2-phenylpropyl)butanediamide is sourced from PubChem (CID 21050041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).