1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C16H23N3O2 — CID 3230204

IUPAC1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-15(20)14-8-5-9-19(14)16(21)18-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFZHWWAMDUMGFNB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds3

About 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 3230204) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID3230204
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-15(20)14-8-5-9-19(14)16(21)18-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFZHWWAMDUMGFNB-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230202
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 3230204) is 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is FZHWWAMDUMGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)17-15(20)14-8-5-9-19(14)16(21)18-13-7-4-6-12(3)10-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).