2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid

C19H21NO5 — CID 119253872

IUPAC2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1OC
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-8-10-13(11-9-12)20-17(21)14-6-5-7-15(24-3)16(14)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyJMYPDZRZHWJDQG-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253872) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID119253872
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1OC
InChIInChI=1S/C19H21NO5/c1-19(2,18(22)23)12-8-10-13(11-9-12)20-17(21)14-6-5-7-15(24-3)16(14)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyJMYPDZRZHWJDQG-UHFFFAOYSA-N
XLogP3.32
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
CID 134008779
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120528707
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid (CID 119253872) is 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid is COc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)c1OC.
What is the InChIKey of 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is JMYPDZRZHWJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,18(22)23)12-8-10-13(11-9-12)20-17(21)14-6-5-7-15(24-3)16(14)25-4/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).