N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C20H31N3O2 — CID 113182073

IUPACN-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-6-22(7-2)17-8-9-18(15(5)10-17)21-20(25)16-11-19(24)23(13-16)12-14(3)4/h8-10,14,16H,6-7,11-13H2,1-5H3,(H,21,25)
InChIKeyKUNFHXQYIGPZIH-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.28
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182073) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182073
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)c(C)c1
InChIInChI=1S/C20H31N3O2/c1-6-22(7-2)17-8-9-18(15(5)10-17)21-20(25)16-11-19(24)23(13-16)12-14(3)4/h8-10,14,16H,6-7,11-13H2,1-5H3,(H,21,25)
InChIKeyKUNFHXQYIGPZIH-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.28
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)-2-methylphenyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186212
N-[4-(diethylamino)-2-methylphenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186285
(3S)-1-(3-acetamidophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 92727119
1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191577
1-(2-cyanophenyl)-N-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191874
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methyl-1,3-benzothiazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108792438
(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
CID 51594975
(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95119937
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
N-(4-bromo-2-methylphenyl)-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185762

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 113182073) is N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC(=O)N(CC(C)C)C2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KUNFHXQYIGPZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-6-22(7-2)17-8-9-18(15(5)10-17)21-20(25)16-11-19(24)23(13-16)12-14(3)4/h8-10,14,16H,6-7,11-13H2,1-5H3,(H,21,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).