2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate

C19H21NO4 — CID 732519

IUPAC2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)12-24-19(22)15-4-8-16(9-5-15)20-18(21)14-6-10-17(23-3)11-7-14/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyJFGGDDAMSDEAIP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.76
Rot. Bonds6

About 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate

2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 732519) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID732519
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)12-24-19(22)15-4-8-16(9-5-15)20-18(21)14-6-10-17(23-3)11-7-14/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyJFGGDDAMSDEAIP-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 5087489
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
2-methylpropyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108796609
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
2-methylpropyl 4-[[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1182543
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate (CID 732519) is 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1.
What is the InChIKey of 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is JFGGDDAMSDEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)12-24-19(22)15-4-8-16(9-5-15)20-18(21)14-6-10-17(23-3)11-7-14/h4-11,13H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate?
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 732519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).