N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide

C21H26N2O — CID 77403412

IUPACN,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide
SMILESCCC1CCC(C(=O)NCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-2-19-13-14-20(23(19)16-18-11-7-4-8-12-18)21(24)22-15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3,(H,22,24)
InChIKeyUVASTQXSLIKJSO-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.75
Rot. Bonds6

About N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide

N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide (PubChem CID 77403412) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide
PubChem CID77403412
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide
SMILESCCC1CCC(C(=O)NCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-2-19-13-14-20(23(19)16-18-11-7-4-8-12-18)21(24)22-15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3,(H,22,24)
InChIKeyUVASTQXSLIKJSO-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
(3S,6S,8aS)-6-[[(2S)-2-aminopentanoyl]amino]-N-benzyl-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 44590212
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
N-benzylcyclopentanecarboxamide
CID 835634
N-benzylcyclobutanecarboxamide
CID 730128
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 102563188
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
N-benzyl-1-[(2,3-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 102502878
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide (CID 77403412) is N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide is CCC1CCC(C(=O)NCc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide?
The InChIKey is UVASTQXSLIKJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-19-13-14-20(23(19)16-18-11-7-4-8-12-18)21(24)22-15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3,(H,22,24).
What are the key properties of N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide?
N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-5-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 77403412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).