N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide

C19H26N2O2 — CID 136523602

IUPACN-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCC(CC(=O)N1CCCC1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-2-14(15-7-4-3-5-8-15)13-18(22)21-12-6-9-17(21)19(23)20-16-10-11-16/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3,(H,20,23)
InChIKeyVAHFJQFWCVKWSV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.84
Rot. Bonds6

About N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide (PubChem CID 136523602) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
PubChem CID136523602
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCCC(CC(=O)N1CCCC1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-2-14(15-7-4-3-5-8-15)13-18(22)21-12-6-9-17(21)19(23)20-16-10-11-16/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3,(H,20,23)
InChIKeyVAHFJQFWCVKWSV-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-phenylpentanoyl)pyrrolidine-2-carboxylic acid
CID 119372031
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60948630
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
1-(3,3-diphenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 22665663
N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
CID 86924418
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide (CID 136523602) is N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide is CCC(CC(=O)N1CCCC1C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide?
The InChIKey is VAHFJQFWCVKWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-14(15-7-4-3-5-8-15)13-18(22)21-12-6-9-17(21)19(23)20-16-10-11-16/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).