(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C15H19N3O3 — CID 8966947

IUPAC(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C15H19N3O3/c1-16-14(20)11-5-3-10(4-6-11)9-18(2)15(21)12-7-8-13(19)17-12/h3-6,12H,7-9H2,1-2H3,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyHQRXBWCEBAIUQC-GFCCVEGCSA-N
MW289.34 g/mol
LogP0.28
Rot. Bonds4

About (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 8966947) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID8966947
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N2)cc1
InChIInChI=1S/C15H19N3O3/c1-16-14(20)11-5-3-10(4-6-11)9-18(2)15(21)12-7-8-13(19)17-12/h3-6,12H,7-9H2,1-2H3,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyHQRXBWCEBAIUQC-GFCCVEGCSA-N
XLogP0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
(2S)-N-[(4-ethoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 95286846
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119273755
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
(2S)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352022
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46436469
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 8966947) is (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCC(=O)N2)cc1.
What is the InChIKey of (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HQRXBWCEBAIUQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-14(20)11-5-3-10(4-6-11)9-18(2)15(21)12-7-8-13(19)17-12/h3-6,12H,7-9H2,1-2H3,(H,16,20)(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 8966947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).