N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide

C23H26N2O4 — CID 10000717

IUPACN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1COCC1=O
InChIInChI=1S/C23H26N2O4/c1-15(2)12-19(23(28)25-20-13-29-14-21(20)26)24-22(27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1
InChIKeyVWNRZEDBERAUKL-XJDOXCRVSA-N
MW394.47 g/mol
LogP2.58
Rot. Bonds7

About N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide

N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide (PubChem CID 10000717) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide
PubChem CID10000717
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1COCC1=O
InChIInChI=1S/C23H26N2O4/c1-15(2)12-19(23(28)25-20-13-29-14-21(20)26)24-22(27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1
InChIKeyVWNRZEDBERAUKL-XJDOXCRVSA-N
XLogP2.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide 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-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide (CID 10000717) is N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide is CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1COCC1=O.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide?
The InChIKey is VWNRZEDBERAUKL-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)12-19(23(28)25-20-13-29-14-21(20)26)24-22(27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide?
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 10000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).