2-(diethylcarbamoylamino)-5-methoxybenzoic acid

C13H18N2O4 — CID 113304987

IUPAC2-(diethylcarbamoylamino)-5-methoxybenzoic acid
SMILESCCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-15(5-2)13(18)14-11-7-6-9(19-3)8-10(11)12(16)17/h6-8H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGZIRZIQMKLPZHE-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds5

About 2-(diethylcarbamoylamino)-5-methoxybenzoic acid

2-(diethylcarbamoylamino)-5-methoxybenzoic acid (PubChem CID 113304987) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(diethylcarbamoylamino)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(diethylcarbamoylamino)-5-methoxybenzoic acid
PubChem CID113304987
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(diethylcarbamoylamino)-5-methoxybenzoic acid
SMILESCCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-15(5-2)13(18)14-11-7-6-9(19-3)8-10(11)12(16)17/h6-8H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyGZIRZIQMKLPZHE-UHFFFAOYSA-N
XLogP2.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
CID 118773614
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
CID 78980899
5-methoxy-2-(3-methylbut-2-enylcarbamoylamino)benzoic acid
CID 106191120
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235

Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoylamino)-5-methoxybenzoic acid?
The IUPAC name of 2-(diethylcarbamoylamino)-5-methoxybenzoic acid (CID 113304987) is 2-(diethylcarbamoylamino)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(diethylcarbamoylamino)-5-methoxybenzoic acid?
The canonical SMILES for 2-(diethylcarbamoylamino)-5-methoxybenzoic acid is CCN(CC)C(=O)Nc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 2-(diethylcarbamoylamino)-5-methoxybenzoic acid?
The InChIKey is GZIRZIQMKLPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(5-2)13(18)14-11-7-6-9(19-3)8-10(11)12(16)17/h6-8H,4-5H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-(diethylcarbamoylamino)-5-methoxybenzoic acid?
2-(diethylcarbamoylamino)-5-methoxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoylamino)-5-methoxybenzoic acid is sourced from PubChem (CID 113304987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).