2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid

C15H20N2O4 — CID 61042461

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-9-17(10-13(18)16(2)3)14(19)11-7-5-6-8-12(11)15(20)21/h5-8H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyUZOSUFXYDOXSNL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.33
Rot. Bonds6

About 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid

2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid (PubChem CID 61042461) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
PubChem CID61042461
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-9-17(10-13(18)16(2)3)14(19)11-7-5-6-8-12(11)15(20)21/h5-8H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyUZOSUFXYDOXSNL-UHFFFAOYSA-N
XLogP1.33
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916469
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
CID 16774584
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
2-amino-N,N-dipropylbenzamide
CID 16769117

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid (CID 61042461) is 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid is CCCN(CC(=O)N(C)C)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid?
The InChIKey is UZOSUFXYDOXSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-9-17(10-13(18)16(2)3)14(19)11-7-5-6-8-12(11)15(20)21/h5-8H,4,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid is sourced from PubChem (CID 61042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).