(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C23H28N2O2 — CID 9056335

IUPAC(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)22(17)25-15-20(14-21(25)26)23(27)24-16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,20+/m1/s1
InChIKeyIRCUNDFEGDVOQD-UZLBHIALSA-N
MW364.49 g/mol
LogP4.04
Rot. Bonds6

About (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 9056335) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID9056335
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)22(17)25-15-20(14-21(25)26)23(27)24-16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,20+/m1/s1
InChIKeyIRCUNDFEGDVOQD-UZLBHIALSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113187102
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 9056335) is (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O.
What is the InChIKey of (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is IRCUNDFEGDVOQD-UZLBHIALSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-17-12-9-13-18(5-2)22(17)25-15-20(14-21(25)26)23(27)24-16(3)19-10-7-6-8-11-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,27)/t16-,20+/m1/s1.
What are the key properties of (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9056335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).