2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C14H18NO5- — CID 6926632

IUPAC2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)[O-])cc1OC
InChIInChI=1S/C14H19NO5/c1-14(2,3)13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)/p-1
InChIKeyYJAYHMAKUYQNPU-UHFFFAOYSA-M
MW280.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 6926632) has the molecular formula C14H18NO5- and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID6926632
Molecular FormulaC14H18NO5-
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)[O-])cc1OC
InChIInChI=1S/C14H19NO5/c1-14(2,3)13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)/p-1
InChIKeyYJAYHMAKUYQNPU-UHFFFAOYSA-M
XLogP1.05
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
CID 119943103
2-(butanoylamino)-4,5-dimethoxybenzoate
CID 7165151
2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-methylamino]propanoic acid
CID 119358791
4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
CID 19849627
N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide
CID 15205514
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454167
(3S,4S)-1-[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112629
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119605106

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 6926632) is 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C(C)(C)C)c(C(=O)[O-])cc1OC.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is YJAYHMAKUYQNPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)/p-1.
What are the key properties of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 280.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 6926632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).