(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H22N2O4 — CID 95972030

IUPAC(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](C)O)CC2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-11(19)9-17(2)16(21)12-8-15(20)18(10-12)13-4-6-14(22-3)7-5-13/h4-7,11-12,19H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZMQOVXQGXUDQAG-RYUDHWBXSA-N
MW306.36 g/mol
LogP0.89
Rot. Bonds5

About (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95972030) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95972030
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](C)O)CC2=O)cc1
InChIInChI=1S/C16H22N2O4/c1-11(19)9-17(2)16(21)12-8-15(20)18(10-12)13-4-6-14(22-3)7-5-13/h4-7,11-12,19H,8-10H2,1-3H3/t11-,12-/m0/s1
InChIKeyZMQOVXQGXUDQAG-RYUDHWBXSA-N
XLogP0.89
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110629660
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
N-[(4-cyanophenyl)methyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 134004309
5-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222487
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
[(1S)-1-cyclopropylethyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 95173629

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95972030) is (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)N(C)C[C@H](C)O)CC2=O)cc1.
What is the InChIKey of (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZMQOVXQGXUDQAG-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(19)9-17(2)16(21)12-8-15(20)18(10-12)13-4-6-14(22-3)7-5-13/h4-7,11-12,19H,8-10H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95972030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).