(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide

C22H27N3O2 — CID 9465398

IUPAC(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(2)20(18-11-7-4-8-12-18)14-23-22(27)19-13-21(26)25(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3,(H,23,27)/t19-,20-/m1/s1
InChIKeyNDAIWXAKSLKACX-WOJBJXKFSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds7

About (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9465398) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9465398
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-24(2)20(18-11-7-4-8-12-18)14-23-22(27)19-13-21(26)25(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3,(H,23,27)/t19-,20-/m1/s1
InChIKeyNDAIWXAKSLKACX-WOJBJXKFSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-amino-2-phenylethyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
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2-benzyl-3-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
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1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
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CID 4827205
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1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
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1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
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(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide (CID 9465398) is (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NDAIWXAKSLKACX-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(2)20(18-11-7-4-8-12-18)14-23-22(27)19-13-21(26)25(16-19)15-17-9-5-3-6-10-17/h3-12,19-20H,13-16H2,1-2H3,(H,23,27)/t19-,20-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9465398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).