1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide

C15H21N3O2 — CID 119503511

IUPAC1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCNCCNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-16-9-10-17-14(19)13-8-5-11-18(13)15(20)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19)
InChIKeyLRBWLMDYJWWEQH-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.63
Rot. Bonds5

About 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119503511) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID119503511
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCNCCNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-16-9-10-17-14(19)13-8-5-11-18(13)15(20)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19)
InChIKeyLRBWLMDYJWWEQH-UHFFFAOYSA-N
XLogP0.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
1-(3,4-dichlorobenzoyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119503508
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide (CID 119503511) is 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide is CNCCNC(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LRBWLMDYJWWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-9-10-17-14(19)13-8-5-11-18(13)15(20)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19).
What are the key properties of 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119503511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).