propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C20H29N3O4 — CID 108800269

IUPACpropyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-12-27-20(26)15-6-8-17(9-7-15)21-19(25)16-13-18(24)23(14-16)11-5-10-22(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,21,25)
InChIKeyWPNBEETUQLXDLL-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.99
Rot. Bonds9

About propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate

propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 108800269) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID108800269
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Namepropyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc1
InChIInChI=1S/C20H29N3O4/c1-4-12-27-20(26)15-6-8-17(9-7-15)21-19(25)16-13-18(24)23(14-16)11-5-10-22(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,21,25)
InChIKeyWPNBEETUQLXDLL-UHFFFAOYSA-N
XLogP1.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 108800352
1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108787329
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
butyl 4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 18170420
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
methyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxybenzoate
CID 108800381
propyl 4-[[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40830394
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 108800269) is propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)C2CC(=O)N(CCCN(C)C)C2)cc1.
What is the InChIKey of propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is WPNBEETUQLXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-12-27-20(26)15-6-8-17(9-7-15)21-19(25)16-13-18(24)23(14-16)11-5-10-22(2)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,21,25).
What are the key properties of propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 375.47 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 108800269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).