2-(2-amino-4,5-dimethoxyanilino)acetamide

C10H15N3O3 — CID 83001750

IUPAC2-(2-amino-4,5-dimethoxyanilino)acetamide
SMILESCOc1cc(N)c(NCC(N)=O)cc1OC
InChIInChI=1S/C10H15N3O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-5-10(12)14/h3-4,13H,5,11H2,1-2H3,(H2,12,14)
InChIKeyGXEKBFPUUQXTOU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.18
Rot. Bonds5

About 2-(2-amino-4,5-dimethoxyanilino)acetamide

2-(2-amino-4,5-dimethoxyanilino)acetamide (PubChem CID 83001750) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethoxyanilino)acetamide
PubChem CID83001750
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2-amino-4,5-dimethoxyanilino)acetamide
SMILESCOc1cc(N)c(NCC(N)=O)cc1OC
InChIInChI=1S/C10H15N3O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-5-10(12)14/h3-4,13H,5,11H2,1-2H3,(H2,12,14)
InChIKeyGXEKBFPUUQXTOU-UHFFFAOYSA-N
XLogP0.18
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.18
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

methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
2-(2-amino-4,5-dimethoxyanilino)propanamide
CID 83001358
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
N-(2-amino-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867945
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethoxyanilino)acetamide?
The IUPAC name of 2-(2-amino-4,5-dimethoxyanilino)acetamide (CID 83001750) is 2-(2-amino-4,5-dimethoxyanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4,5-dimethoxyanilino)acetamide?
The canonical SMILES for 2-(2-amino-4,5-dimethoxyanilino)acetamide is COc1cc(N)c(NCC(N)=O)cc1OC.
What is the InChIKey of 2-(2-amino-4,5-dimethoxyanilino)acetamide?
The InChIKey is GXEKBFPUUQXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-5-10(12)14/h3-4,13H,5,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-(2-amino-4,5-dimethoxyanilino)acetamide?
2-(2-amino-4,5-dimethoxyanilino)acetamide has a molecular weight of 225.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 83001750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).