2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide

C20H29N3O2 — CID 166398758

IUPAC2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide
SMILESCCCN(C(=O)N1CCCC1C(=O)NC1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H29N3O2/c1-4-11-22(17-10-7-14(2)15(3)13-17)20(25)23-12-5-6-18(23)19(24)21-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyUAKJBMBBCTZGRV-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.38
Rot. Bonds5

About 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide (PubChem CID 166398758) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide
PubChem CID166398758
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide
SMILESCCCN(C(=O)N1CCCC1C(=O)NC1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H29N3O2/c1-4-11-22(17-10-7-14(2)15(3)13-17)20(25)23-12-5-6-18(23)19(24)21-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyUAKJBMBBCTZGRV-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
1-acetyl-N-(3,4-dimethylphenyl)-N-propylpiperidine-4-carboxamide
CID 142875608
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
(2R)-2-N-cyclopropyl-1-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 97242091
N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86924438
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide (CID 166398758) is 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide is CCCN(C(=O)N1CCCC1C(=O)NC1CC1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide?
The InChIKey is UAKJBMBBCTZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-11-22(17-10-7-14(2)15(3)13-17)20(25)23-12-5-6-18(23)19(24)21-16-8-9-16/h7,10,13,16,18H,4-6,8-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)-1-N-propylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 166398758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).