(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide

C23H28N2O3 — CID 139227589

IUPAC(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CN(CCc2ccccc2)C(=O)[C@H]1CCO
InChIInChI=1S/C23H28N2O3/c26-16-13-20-21(22(27)24-14-11-18-7-3-1-4-8-18)17-25(23(20)28)15-12-19-9-5-2-6-10-19/h1-10,20-21,26H,11-17H2,(H,24,27)/t20-,21+/m0/s1
InChIKeyFJNJKOZZMUKBBY-LEWJYISDSA-N
MW380.49 g/mol
LogP2.05
Rot. Bonds9

About (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 139227589) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID139227589
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CN(CCc2ccccc2)C(=O)[C@H]1CCO
InChIInChI=1S/C23H28N2O3/c26-16-13-20-21(22(27)24-14-11-18-7-3-1-4-8-18)17-25(23(20)28)15-12-19-9-5-2-6-10-19/h1-10,20-21,26H,11-17H2,(H,24,27)/t20-,21+/m0/s1
InChIKeyFJNJKOZZMUKBBY-LEWJYISDSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
3,4-bis[2-(4-phenylphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961336
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide (CID 139227589) is (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CN(CCc2ccccc2)C(=O)[C@H]1CCO.
What is the InChIKey of (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FJNJKOZZMUKBBY-LEWJYISDSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-16-13-20-21(22(27)24-14-11-18-7-3-1-4-8-18)17-25(23(20)28)15-12-19-9-5-2-6-10-19/h1-10,20-21,26H,11-17H2,(H,24,27)/t20-,21+/m0/s1.
What are the key properties of (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(2-hydroxyethyl)-5-oxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 139227589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).