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

C11H17N3O3 — CID 83001358

IUPAC2-(2-amino-4,5-dimethoxyanilino)propanamide
SMILESCOc1cc(N)c(NC(C)C(N)=O)cc1OC
InChIInChI=1S/C11H17N3O3/c1-6(11(13)15)14-8-5-10(17-3)9(16-2)4-7(8)12/h4-6,14H,12H2,1-3H3,(H2,13,15)
InChIKeyZMENNWITSROHPI-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.57
Rot. Bonds5

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

2-(2-amino-4,5-dimethoxyanilino)propanamide (PubChem CID 83001358) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethoxyanilino)propanamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethoxyanilino)propanamide
PubChem CID83001358
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-(2-amino-4,5-dimethoxyanilino)propanamide
SMILESCOc1cc(N)c(NC(C)C(N)=O)cc1OC
InChIInChI=1S/C11H17N3O3/c1-6(11(13)15)14-8-5-10(17-3)9(16-2)4-7(8)12/h4-6,14H,12H2,1-3H3,(H2,13,15)
InChIKeyZMENNWITSROHPI-UHFFFAOYSA-N
XLogP0.57
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.57
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-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2-(2-amino-4-fluoro-5-methoxyanilino)-3-methylbutanamide
CID 106343926
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
N-(2-amino-4,5-dimethoxyphenyl)propane-2-sulfonamide
CID 60859772
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethoxyanilino)propanamide?
The IUPAC name of 2-(2-amino-4,5-dimethoxyanilino)propanamide (CID 83001358) is 2-(2-amino-4,5-dimethoxyanilino)propanamide.
What is the SMILES notation for 2-(2-amino-4,5-dimethoxyanilino)propanamide?
The canonical SMILES for 2-(2-amino-4,5-dimethoxyanilino)propanamide is COc1cc(N)c(NC(C)C(N)=O)cc1OC.
What is the InChIKey of 2-(2-amino-4,5-dimethoxyanilino)propanamide?
The InChIKey is ZMENNWITSROHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(11(13)15)14-8-5-10(17-3)9(16-2)4-7(8)12/h4-6,14H,12H2,1-3H3,(H2,13,15).
What are the key properties of 2-(2-amino-4,5-dimethoxyanilino)propanamide?
2-(2-amino-4,5-dimethoxyanilino)propanamide has a molecular weight of 239.28 g/mol, XLogP of 0.57, 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)propanamide is sourced from PubChem (CID 83001358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).