methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate

C14H19NO5 — CID 30886768

IUPACmethyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)20-5)15-12(16)9-6-10(18-3)8-11(7-9)19-4/h6-8H,1-5H3,(H,15,16)
InChIKeyOVILRJMTOFIUIH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate

methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 30886768) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
PubChem CID30886768
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H19NO5/c1-14(2,13(17)20-5)15-12(16)9-6-10(18-3)8-11(7-9)19-4/h6-8H,1-5H3,(H,15,16)
InChIKeyOVILRJMTOFIUIH-UHFFFAOYSA-N
XLogP1.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoate
CID 104852229
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
CID 103998421
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
3-hydroxy-5-methoxy-N-methylbenzamide
CID 59127123
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
lithium 3,5-dimethoxybenzoate
CID 19205782
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 61261520

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate (CID 30886768) is methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is OVILRJMTOFIUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,13(17)20-5)15-12(16)9-6-10(18-3)8-11(7-9)19-4/h6-8H,1-5H3,(H,15,16).
What are the key properties of methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate?
methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate has a molecular weight of 281.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 30886768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).