(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C17H25N3O2 — CID 95291646

IUPAC(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)12-15(9-13-7-5-4-6-8-13)18-17(22)14-10-16(21)20(3)11-14/h4-8,14-15H,9-12H2,1-3H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyPGXGBZCABLBILR-LSDHHAIUSA-N
MW303.41 g/mol
LogP0.75
Rot. Bonds6

About (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95291646) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95291646
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)12-15(9-13-7-5-4-6-8-13)18-17(22)14-10-16(21)20(3)11-14/h4-8,14-15H,9-12H2,1-3H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyPGXGBZCABLBILR-LSDHHAIUSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-5-oxo-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 95303357
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75462412
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95291646) is (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(C)C1.
What is the InChIKey of (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PGXGBZCABLBILR-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)12-15(9-13-7-5-4-6-8-13)18-17(22)14-10-16(21)20(3)11-14/h4-8,14-15H,9-12H2,1-3H3,(H,18,22)/t14-,15+/m0/s1.
What are the key properties of (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95291646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).