1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 17081121

IUPAC1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-18(14-9-7-6-8-10-14)16(21)13-11-15(20)19(12-13)17(2,3)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyUDQLXHIHLBOIHW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds3

About 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 17081121) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID17081121
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)C1CC(=O)N(C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-18(14-9-7-6-8-10-14)16(21)13-11-15(20)19(12-13)17(2,3)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyUDQLXHIHLBOIHW-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191384
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 60832506
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
(3R)-1-tert-butyl-N-ethyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97122756
1-tert-butyl-N-ethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 70767990

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 17081121) is 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CCN(C(=O)C1CC(=O)N(C(C)(C)C)C1)c1ccccc1.
What is the InChIKey of 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is UDQLXHIHLBOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-18(14-9-7-6-8-10-14)16(21)13-11-15(20)19(12-13)17(2,3)4/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17081121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).