(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide

C23H25N3O4 — CID 9350768

IUPAC(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H25N3O4/c27-21-13-16(15-26(21)17-7-2-1-3-8-17)22(28)25-20-11-5-4-10-19(20)23(29)24-14-18-9-6-12-30-18/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,24,29)(H,25,28)/t16-,18+/m1/s1
InChIKeyBNYGJHOAJKNXNF-AEFFLSMTSA-N
MW407.47 g/mol
LogP2.59
Rot. Bonds6

About (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide

(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 9350768) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID9350768
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H25N3O4/c27-21-13-16(15-26(21)17-7-2-1-3-8-17)22(28)25-20-11-5-4-10-19(20)23(29)24-14-18-9-6-12-30-18/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,24,29)(H,25,28)/t16-,18+/m1/s1
InChIKeyBNYGJHOAJKNXNF-AEFFLSMTSA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-[4-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 17154021
1-(3-chlorophenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 42953358
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964263
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55607434
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
(3R)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 41002376
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide (CID 9350768) is (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is BNYGJHOAJKNXNF-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-21-13-16(15-26(21)17-7-2-1-3-8-17)22(28)25-20-11-5-4-10-19(20)23(29)24-14-18-9-6-12-30-18/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,24,29)(H,25,28)/t16-,18+/m1/s1.
What are the key properties of (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9350768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).