1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide

C18H26N2O — CID 155963829

IUPAC1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1CN(Cc2ccccc2)CC1C(=O)NC1CC1
InChIInChI=1S/C18H26N2O/c1-13(2)16-11-20(10-14-6-4-3-5-7-14)12-17(16)18(21)19-15-8-9-15/h3-7,13,15-17H,8-12H2,1-2H3,(H,19,21)
InChIKeyFHKYBHYZCZNPQW-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.67
Rot. Bonds5

About 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide

1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 155963829) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID155963829
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1CN(Cc2ccccc2)CC1C(=O)NC1CC1
InChIInChI=1S/C18H26N2O/c1-13(2)16-11-20(10-14-6-4-3-5-7-14)12-17(16)18(21)19-15-8-9-15/h3-7,13,15-17H,8-12H2,1-2H3,(H,19,21)
InChIKeyFHKYBHYZCZNPQW-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
ethyl 1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylate
CID 57304770
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(4-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 46968037
1-benzyl-3-propan-2-ylpiperidin-4-ol
CID 23003711
2-[(2R,3S)-1-benzyl-5-oxo-3-propan-2-ylpyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide
CID 134349725
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854204
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide (CID 155963829) is 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1CN(Cc2ccccc2)CC1C(=O)NC1CC1.
What is the InChIKey of 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FHKYBHYZCZNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)16-11-20(10-14-6-4-3-5-7-14)12-17(16)18(21)19-15-8-9-15/h3-7,13,15-17H,8-12H2,1-2H3,(H,19,21).
What are the key properties of 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide?
1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155963829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).