2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide

C25H31N3O2 — CID 112834732

IUPAC2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c29-24(26-21-16-17-21)23-15-8-18-28(23)25(30)27-22(20-12-5-2-6-13-20)14-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-23H,7-8,11,14-18H2,(H,26,29)(H,27,30)
InChIKeyMPDJJGWJDBTUPY-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.20
Rot. Bonds8

About 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 112834732) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide
PubChem CID112834732
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c29-24(26-21-16-17-21)23-15-8-18-28(23)25(30)27-22(20-12-5-2-6-13-20)14-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-23H,7-8,11,14-18H2,(H,26,29)(H,27,30)
InChIKeyMPDJJGWJDBTUPY-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
1-N-[1-(4-chlorophenyl)-3,3-dimethylbutyl]-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 166183655
1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60948630
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974597
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide (CID 112834732) is 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide is O=C(NC1CC1)C1CCCN1C(=O)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MPDJJGWJDBTUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(26-21-16-17-21)23-15-8-18-28(23)25(30)27-22(20-12-5-2-6-13-20)14-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-13,21-23H,7-8,11,14-18H2,(H,26,29)(H,27,30).
What are the key properties of 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 112834732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).