N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide

C18H27N3O2 — CID 119643109

IUPACN-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-3-18(19,4-2)13-20-16(22)15-11-8-12-21(15)17(23)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,19H2,1-2H3,(H,20,22)
InChIKeyGLYOLDJFXFKJJJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.92
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide

N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide (PubChem CID 119643109) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
PubChem CID119643109
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-3-18(19,4-2)13-20-16(22)15-11-8-12-21(15)17(23)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,19H2,1-2H3,(H,20,22)
InChIKeyGLYOLDJFXFKJJJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
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
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
3-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250062
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide (CID 119643109) is N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide is CCC(N)(CC)CNC(=O)C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide?
The InChIKey is GLYOLDJFXFKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-18(19,4-2)13-20-16(22)15-11-8-12-21(15)17(23)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide?
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119643109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).