2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid

C14H19NO5 — CID 61261520

IUPAC2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)NC(C)(C)C(=O)O)cc(OC)c1C
InChIInChI=1S/C14H19NO5/c1-8-10(19-4)6-9(7-11(8)20-5)12(16)15-14(2,3)13(17)18/h6-7H,1-5H3,(H,15,16)(H,17,18)
InChIKeyMBQUERUFBGTTDH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid

2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid (PubChem CID 61261520) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
PubChem CID61261520
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)NC(C)(C)C(=O)O)cc(OC)c1C
InChIInChI=1S/C14H19NO5/c1-8-10(19-4)6-9(7-11(8)20-5)12(16)15-14(2,3)13(17)18/h6-7H,1-5H3,(H,15,16)(H,17,18)
InChIKeyMBQUERUFBGTTDH-UHFFFAOYSA-N
XLogP1.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 107847342
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpropanoic acid
CID 107702490
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119575855
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
3-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 62675124
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid (CID 61261520) is 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid is COc1cc(C(=O)NC(C)(C)C(=O)O)cc(OC)c1C.
What is the InChIKey of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is MBQUERUFBGTTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8-10(19-4)6-9(7-11(8)20-5)12(16)15-14(2,3)13(17)18/h6-7H,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid?
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).