4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide

C23H27NO3 — CID 10133440

IUPAC4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)N[C@@H]1C(=O)CO[C@@H]1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27NO3/c1-15(2)12-20(23(26)24-22-16(3)27-14-21(22)25)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13,15-16,20,22H,12,14H2,1-3H3,(H,24,26)/t16-,20?,22+/m1/s1
InChIKeyZRQQZPCEXCNLNB-JRSXHVCQSA-N
MW365.47 g/mol
LogP3.96
Rot. Bonds6

About 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide

4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide (PubChem CID 10133440) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
PubChem CID10133440
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
SMILESCC(C)CC(C(=O)N[C@@H]1C(=O)CO[C@@H]1C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H27NO3/c1-15(2)12-20(23(26)24-22-16(3)27-14-21(22)25)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13,15-16,20,22H,12,14H2,1-3H3,(H,24,26)/t16-,20?,22+/m1/s1
InChIKeyZRQQZPCEXCNLNB-JRSXHVCQSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide 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 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide?
The IUPAC name of 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide (CID 10133440) is 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide?
The canonical SMILES for 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide is CC(C)CC(C(=O)N[C@@H]1C(=O)CO[C@@H]1C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide?
The InChIKey is ZRQQZPCEXCNLNB-JRSXHVCQSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(2)12-20(23(26)24-22-16(3)27-14-21(22)25)19-11-7-10-18(13-19)17-8-5-4-6-9-17/h4-11,13,15-16,20,22H,12,14H2,1-3H3,(H,24,26)/t16-,20?,22+/m1/s1.
What are the key properties of 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide?
4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide has a molecular weight of 365.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide is sourced from PubChem (CID 10133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).