2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid

C18H20N2O4 — CID 110451690

IUPAC2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C18H20N2O4/c1-18(2,11-4-6-12(19)7-5-11)17(23)20-15-10-13(24-3)8-9-14(15)16(21)22/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAGILODUQFLRJDH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.89
Rot. Bonds5

About 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid

2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid (PubChem CID 110451690) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
PubChem CID110451690
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C18H20N2O4/c1-18(2,11-4-6-12(19)7-5-11)17(23)20-15-10-13(24-3)8-9-14(15)16(21)22/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyAGILODUQFLRJDH-UHFFFAOYSA-N
XLogP2.89
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-methoxybenzoic acid
CID 115411628
2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-4-methoxybenzoic acid
CID 115411559
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(4-methoxyphenyl)-2-methyl-N-pyrimidin-2-ylpropanamide
CID 110439569
2-[[2-methyl-2-(4-naphthalen-2-yloxyphenyl)propanoyl]amino]benzoic acid
CID 10646053
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
CID 115412313
2-(2,2-dimethylbutylcarbamoylamino)-4-methoxybenzoic acid
CID 103463114
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-methoxybenzoic acid
CID 114009470
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid (CID 110451690) is 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)C(C)(C)c2ccc(N)cc2)c1.
What is the InChIKey of 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The InChIKey is AGILODUQFLRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2,11-4-6-12(19)7-5-11)17(23)20-15-10-13(24-3)8-9-14(15)16(21)22/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 110451690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).