2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid

C15H20N2O4 — CID 60662164

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-17(5-2)13(18)10-16(3)14(19)11-8-6-7-9-12(11)15(20)21/h6-9H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyPLLJQZMXBXBDGK-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.33
Rot. Bonds6

About 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid

2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid (PubChem CID 60662164) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
PubChem CID60662164
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-17(5-2)13(18)10-16(3)14(19)11-8-6-7-9-12(11)15(20)21/h6-9H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyPLLJQZMXBXBDGK-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

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
CID 39949321
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114132536
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 39948097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid (CID 60662164) is 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid is CCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid?
The InChIKey is PLLJQZMXBXBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-17(5-2)13(18)10-16(3)14(19)11-8-6-7-9-12(11)15(20)21/h6-9H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid?
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]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-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 60662164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).