4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid

C15H20N2O3 — CID 61184350

IUPAC4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESC=C(C)CN(CC)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H20N2O3/c1-5-17(9-10(2)3)15(20)16-13-7-6-12(14(18)19)8-11(13)4/h6-8H,2,5,9H2,1,3-4H3,(H,16,20)(H,18,19)
InChIKeyOLLRYZQACWNCLR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.12
Rot. Bonds5

About 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid

4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid (PubChem CID 61184350) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
PubChem CID61184350
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESC=C(C)CN(CC)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H20N2O3/c1-5-17(9-10(2)3)15(20)16-13-7-6-12(14(18)19)8-11(13)4/h6-8H,2,5,9H2,1,3-4H3,(H,16,20)(H,18,19)
InChIKeyOLLRYZQACWNCLR-UHFFFAOYSA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methylbenzoic acid
CID 61198060
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
3-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]benzoic acid
CID 61185595
1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
CID 146127944
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
CID 61186414
4-bromo-3-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107814332
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 61429218
4-(3-ethylpentan-3-ylcarbamoylamino)-3-methylbenzoic acid
CID 65042895
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid (CID 61184350) is 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid is C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid?
The InChIKey is OLLRYZQACWNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-17(9-10(2)3)15(20)16-13-7-6-12(14(18)19)8-11(13)4/h6-8H,2,5,9H2,1,3-4H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid?
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 61184350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).