3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide

C13H21N3O3 — CID 106275255

IUPAC3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
SMILESCOc1cc(N)c(NCC(C)(C)C(N)=O)cc1OC
InChIInChI=1S/C13H21N3O3/c1-13(2,12(15)17)7-16-9-6-11(19-4)10(18-3)5-8(9)14/h5-6,16H,7,14H2,1-4H3,(H2,15,17)
InChIKeyBAPQUIAYTFCXQH-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.21
Rot. Bonds6

About 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide

3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide (PubChem CID 106275255) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
PubChem CID106275255
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
SMILESCOc1cc(N)c(NCC(C)(C)C(N)=O)cc1OC
InChIInChI=1S/C13H21N3O3/c1-13(2,12(15)17)7-16-9-6-11(19-4)10(18-3)5-8(9)14/h5-6,16H,7,14H2,1-4H3,(H2,15,17)
InChIKeyBAPQUIAYTFCXQH-UHFFFAOYSA-N
XLogP1.21
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
methyl 4-amino-3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoate
CID 114167698
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
3-amino-4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 114167694
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
2-(2-amino-4,5-dimethoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845823
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide (CID 106275255) is 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide is COc1cc(N)c(NCC(C)(C)C(N)=O)cc1OC.
What is the InChIKey of 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide?
The InChIKey is BAPQUIAYTFCXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,12(15)17)7-16-9-6-11(19-4)10(18-3)5-8(9)14/h5-6,16H,7,14H2,1-4H3,(H2,15,17).
What are the key properties of 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide?
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide is sourced from PubChem (CID 106275255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).