3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid

C19H21NO5 — CID 120701119

IUPAC3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-19(18(22)23,14-7-5-4-6-8-14)12-20-17(21)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVTQCHRQQEBAFLQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.48
Rot. Bonds7

About 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120701119) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120701119
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-19(18(22)23,14-7-5-4-6-8-14)12-20-17(21)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVTQCHRQQEBAFLQ-UHFFFAOYSA-N
XLogP2.48
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249605
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120701119) is 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid is COc1ccc(C(=O)NCC(C)(C(=O)O)c2ccccc2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is VTQCHRQQEBAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(18(22)23,14-7-5-4-6-8-14)12-20-17(21)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120701119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).