N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H28N2O2 — CID 17082044

IUPACN-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CC(=O)N(c2ccc(CC)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-4-7-12-20(6-3)19(23)16-13-18(22)21(14-16)17-10-8-15(5-2)9-11-17/h8-11,16H,4-7,12-14H2,1-3H3
InChIKeyIIHDWUZBKLSDQU-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.25
Rot. Bonds7

About N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082044) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082044
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CC(=O)N(c2ccc(CC)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-4-7-12-20(6-3)19(23)16-13-18(22)21(14-16)17-10-8-15(5-2)9-11-17/h8-11,16H,4-7,12-14H2,1-3H3
InChIKeyIIHDWUZBKLSDQU-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
(3R)-N,N-bis(cyanomethyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388753
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082044) is N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN(CC)C(=O)C1CC(=O)N(c2ccc(CC)cc2)C1.
What is the InChIKey of N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IIHDWUZBKLSDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-7-12-20(6-3)19(23)16-13-18(22)21(14-16)17-10-8-15(5-2)9-11-17/h8-11,16H,4-7,12-14H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).