2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid

C15H20N2O4 — CID 107209521

IUPAC2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C(C)C
InChIInChI=1S/C15H20N2O4/c1-5-8-17(10(2)3)15(20)16-11-6-7-12(14(18)19)13(9-11)21-4/h5-7,9-10H,1,8H2,2-4H3,(H,16,20)(H,18,19)
InChIKeyUDWAMXFGDZEUDA-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.82
Rot. Bonds6

About 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid

2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid (PubChem CID 107209521) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
PubChem CID107209521
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
SMILESC=CCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C(C)C
InChIInChI=1S/C15H20N2O4/c1-5-8-17(10(2)3)15(20)16-11-6-7-12(14(18)19)13(9-11)21-4/h5-7,9-10H,1,8H2,2-4H3,(H,16,20)(H,18,19)
InChIKeyUDWAMXFGDZEUDA-UHFFFAOYSA-N
XLogP2.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
2-methoxy-4-(pent-4-enoylamino)benzoic acid
CID 107208821
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-methoxy-4-(3-methylbutylcarbamoylamino)benzoic acid
CID 107209358
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid (CID 107209521) is 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid is C=CCN(C(=O)Nc1ccc(C(=O)O)c(OC)c1)C(C)C.
What is the InChIKey of 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid?
The InChIKey is UDWAMXFGDZEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-8-17(10(2)3)15(20)16-11-6-7-12(14(18)19)13(9-11)21-4/h5-7,9-10H,1,8H2,2-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid?
2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 107209521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).