2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid

C18H27NO7 — CID 141326742

IUPAC2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1cc(NC(=O)C(C)(C)C)c(C(=O)O)cc1OCCOC
InChIInChI=1S/C18H27NO7/c1-18(2,3)17(22)19-13-11-15(26-9-7-24-5)14(25-8-6-23-4)10-12(13)16(20)21/h10-11H,6-9H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyDBGLNPLKWUJMKE-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.42
Rot. Bonds10

About 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid

2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid (PubChem CID 141326742) has the molecular formula C18H27NO7 and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
PubChem CID141326742
Molecular FormulaC18H27NO7
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1cc(NC(=O)C(C)(C)C)c(C(=O)O)cc1OCCOC
InChIInChI=1S/C18H27NO7/c1-18(2,3)17(22)19-13-11-15(26-9-7-24-5)14(25-8-6-23-4)10-12(13)16(20)21/h10-11H,6-9H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyDBGLNPLKWUJMKE-UHFFFAOYSA-N
XLogP2.42
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid 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

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
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
ethyl 2-(carbamothioylamino)-4,5-bis(2-methoxyethoxy)benzoate
CID 169356168
2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid
CID 167221886
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612
2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580581
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-methylamino]propanoic acid
CID 119358791
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
2-[(2,6-dichloro-3-pyridinyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 47088946

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid (CID 141326742) is 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid is COCCOc1cc(NC(=O)C(C)(C)C)c(C(=O)O)cc1OCCOC.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid?
The InChIKey is DBGLNPLKWUJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO7/c1-18(2,3)17(22)19-13-11-15(26-9-7-24-5)14(25-8-6-23-4)10-12(13)16(20)21/h10-11H,6-9H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid?
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid has a molecular weight of 369.41 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 141326742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).