3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid

C19H21NO4 — CID 120701614

IUPAC3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-11-15(24-3)9-10-16(13)17(21)20-12-19(2,18(22)23)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyKDIQZWQPDUWLIQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.78
Rot. Bonds6

About 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701614) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701614
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21NO4/c1-13-11-15(24-3)9-10-16(13)17(21)20-12-19(2,18(22)23)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyKDIQZWQPDUWLIQ-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525
3-[3-(4-methoxyphenyl)butanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120701155
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-2-phenylpropanoic acid
CID 120700815

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701614) is 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid is COc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)c(C)c1.
What is the InChIKey of 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is KDIQZWQPDUWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-11-15(24-3)9-10-16(13)17(21)20-12-19(2,18(22)23)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).