1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H25N3O3 — CID 113189096

IUPAC1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C18H25N3O3/c1-4-5-10-20(3)18(24)14-11-17(23)21(12-14)16-8-6-15(7-9-16)19-13(2)22/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyXTBHQNYMZKZYMH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide

1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189096) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113189096
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)C(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C18H25N3O3/c1-4-5-10-20(3)18(24)14-11-17(23)21(12-14)16-8-6-15(7-9-16)19-13(2)22/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyXTBHQNYMZKZYMH-UHFFFAOYSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
N-butyl-1-(3,5-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191157
(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 42560602
1-(4-acetamidophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189079
N-butyl-1-(2,6-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113191265
N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190814
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155
N-[(4-acetamidophenyl)methyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18153844

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 113189096) is 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CCCCN(C)C(=O)C1CC(=O)N(c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XTBHQNYMZKZYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-5-10-20(3)18(24)14-11-17(23)21(12-14)16-8-6-15(7-9-16)19-13(2)22/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,22).
What are the key properties of 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).