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

C23H29N3O2 — CID 112827008

IUPAC1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CCNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H29N3O2/c1-3-25(20-13-8-7-10-18(20)2)17-15-24-22(27)21-14-9-16-26(21)23(28)19-11-5-4-6-12-19/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,24,27)
InChIKeyZSLDBVMBDGSIHG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.24
Rot. Bonds7

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

1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 112827008) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
PubChem CID112827008
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CCNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1C
InChIInChI=1S/C23H29N3O2/c1-3-25(20-13-8-7-10-18(20)2)17-15-24-22(27)21-14-9-16-26(21)23(28)19-11-5-4-6-12-19/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,24,27)
InChIKeyZSLDBVMBDGSIHG-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119853410
(2S,5R)-5-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 120798364
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide (CID 112827008) is 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide is CCN(CCNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZSLDBVMBDGSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(20-13-8-7-10-18(20)2)17-15-24-22(27)21-14-9-16-26(21)23(28)19-11-5-4-6-12-19/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,24,27).
What are the key properties of 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112827008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).