5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid

C15H22N2O4 — CID 79480960

IUPAC5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCC(C)CN(CC)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-4-10(3)9-17(5-2)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyYACDWUOZRGENTI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds6

About 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid

5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid (PubChem CID 79480960) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
PubChem CID79480960
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCCC(C)CN(CC)C(=O)Nc1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-4-10(3)9-17(5-2)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyYACDWUOZRGENTI-UHFFFAOYSA-N
XLogP2.99
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[[ethyl(2-methylbutyl)carbamoyl]amino]benzoic acid
CID 79480959
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
2-bromo-5-[[ethyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296697
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
2-bromo-5-[[2-cyanopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 115296818
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
3-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 104833778
2-hydroxy-5-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 61452540
2-hydroxy-5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]benzoic acid
CID 112662679
2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
CID 136557400
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653892
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid (CID 79480960) is 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid is CCC(C)CN(CC)C(=O)Nc1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is YACDWUOZRGENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-10(3)9-17(5-2)15(21)16-11-6-7-13(18)12(8-11)14(19)20/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid?
5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 79480960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).