N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C16H23N3O2 — CID 42956709

IUPACN-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-4-19(5-2)14-8-6-13(7-9-14)17-16(21)12-10-15(20)18(3)11-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyMDKFWSDNSGIINK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42956709) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42956709
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-4-19(5-2)14-8-6-13(7-9-14)17-16(21)12-10-15(20)18(3)11-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21)
InChIKeyMDKFWSDNSGIINK-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
N-[4-(diethylamino)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186270
1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
N-[4-(diethylamino)phenyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183578
N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189799
N-[4-(diethylamino)phenyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186644
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
N-[4-(diethylamino)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183968
N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125472
N-(1,3-benzodioxol-5-yl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189802
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 42956709) is N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(=O)N(C)C2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MDKFWSDNSGIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19(5-2)14-8-6-13(7-9-14)17-16(21)12-10-15(20)18(3)11-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42956709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).