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

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Related Compounds

N-[(3S)-2-oxooxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 44449542
N-(oxolan-2-ylmethyl)-3,3-diphenylpropanamide
CID 4385965
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-4-phenylbenzamide
CID 10000717
(3R,6S,9S,13S)-9-benzhydryl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 11526974
3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-2-oxo-pentanoic acid ethyl ester
CID 44343661
(3R,6S,9S,13S)-9-benzhydryl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578326
(3R,6S,9S,13S)-9-benzhydryl-13-[(2S)-hexan-2-yl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578327
(3R,6R,9S,13S)-9-benzhydryl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578332
(3R,6R,9S,13S)-9-benzhydryl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578333
(3R,6R,9S,13S)-9-benzhydryl-13-[(2S)-hexan-2-yl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578334
2,2-bis(3-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)cyclopropanecarboxamide
CID 3933013
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
CID 11471362

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).