N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C22H28N4O2 — CID 108787376

IUPACN-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O
InChIInChI=1S/C22H28N4O2/c1-25(2)13-6-14-26-16-17(15-21(26)27)22(28)24-20-11-9-19(10-12-20)23-18-7-4-3-5-8-18/h3-5,7-12,17,23H,6,13-16H2,1-2H3,(H,24,28)
InChIKeyLDBZYZPQJCVRJV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.17
Rot. Bonds8

About N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108787376) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108787376
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O
InChIInChI=1S/C22H28N4O2/c1-25(2)13-6-14-26-16-17(15-21(26)27)22(28)24-20-11-9-19(10-12-20)23-18-7-4-3-5-8-18/h3-5,7-12,17,23H,6,13-16H2,1-2H3,(H,24,28)
InChIKeyLDBZYZPQJCVRJV-UHFFFAOYSA-N
XLogP3.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108787329
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 108800352
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108800269
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
N-(2-acetylphenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800377
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
N-(4-anilinophenyl)-5-oxo-1-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 22051473
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 108787376) is N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCCN1CC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O.
What is the InChIKey of N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LDBZYZPQJCVRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25(2)13-6-14-26-16-17(15-21(26)27)22(28)24-20-11-9-19(10-12-20)23-18-7-4-3-5-8-18/h3-5,7-12,17,23H,6,13-16H2,1-2H3,(H,24,28).
What are the key properties of N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108787376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).