4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid

C14H20N2O4 — CID 61186414

IUPAC4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
SMILESCCCCN(CC)C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C14H20N2O4/c1-3-5-8-16(4-2)14(20)15-11-7-6-10(13(18)19)9-12(11)17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPMUBWTUUGZKLMM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.74
Rot. Bonds6

About 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid

4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid (PubChem CID 61186414) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
PubChem CID61186414
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
SMILESCCCCN(CC)C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C14H20N2O4/c1-3-5-8-16(4-2)14(20)15-11-7-6-10(13(18)19)9-12(11)17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyPMUBWTUUGZKLMM-UHFFFAOYSA-N
XLogP2.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
methyl 4-(diethylcarbamoylamino)-3-hydroxybenzoate
CID 108744866
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
3-hydroxy-4-(octylamino)benzoic acid
CID 22040304
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
3-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 115986634
3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoic acid
CID 61186039
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61184350
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
4-bromo-3-[[2-cyanoethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107814077
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid (CID 61186414) is 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid is CCCCN(CC)C(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid?
The InChIKey is PMUBWTUUGZKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-5-8-16(4-2)14(20)15-11-7-6-10(13(18)19)9-12(11)17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid?
4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 61186414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).