2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid

C19H21NO4 — CID 119253822

IUPAC2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H21NO4/c1-12-5-6-13(11-16(12)24-4)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyMPXOERJUTCFLLX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.62
Rot. Bonds5

About 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253822) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID119253822
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H21NO4/c1-12-5-6-13(11-16(12)24-4)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyMPXOERJUTCFLLX-UHFFFAOYSA-N
XLogP3.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
2-methyl-2-[4-[(4-methyl-3-methylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119253841
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 154806151
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid (CID 119253822) is 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid is COc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)ccc1C.
What is the InChIKey of 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is MPXOERJUTCFLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-5-6-13(11-16(12)24-4)17(21)20-15-9-7-14(8-10-15)19(2,3)18(22)23/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).