2-(diethylcarbamoylamino)benzoic acid

C12H16N2O3 — CID 10776189

IUPAC2-(diethylcarbamoylamino)benzoic acid
SMILESCCN(CC)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-14(4-2)12(17)13-10-8-6-5-7-9(10)11(15)16/h5-8H,3-4H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPYYMHUIREWOXKN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.26
Rot. Bonds4

About 2-(diethylcarbamoylamino)benzoic acid

2-(diethylcarbamoylamino)benzoic acid (PubChem CID 10776189) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(diethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(diethylcarbamoylamino)benzoic acid
PubChem CID10776189
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(diethylcarbamoylamino)benzoic acid
SMILESCCN(CC)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-14(4-2)12(17)13-10-8-6-5-7-9(10)11(15)16/h5-8H,3-4H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyPYYMHUIREWOXKN-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-(diethylcarbamoylamino)benzoic acid (CID 10776189) is 2-(diethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-(diethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-(diethylcarbamoylamino)benzoic acid is CCN(CC)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(diethylcarbamoylamino)benzoic acid?
The InChIKey is PYYMHUIREWOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14(4-2)12(17)13-10-8-6-5-7-9(10)11(15)16/h5-8H,3-4H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-(diethylcarbamoylamino)benzoic acid?
2-(diethylcarbamoylamino)benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 10776189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).