3-amino-4-(3,4-dimethoxyanilino)benzamide

C15H17N3O3 — CID 43448410

IUPAC3-amino-4-(3,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(C(N)=O)cc2N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-6-4-10(8-14(13)21-2)18-12-5-3-9(15(17)19)7-11(12)16/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyDSHCDRYEFQSNCV-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

About 3-amino-4-(3,4-dimethoxyanilino)benzamide

3-amino-4-(3,4-dimethoxyanilino)benzamide (PubChem CID 43448410) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethoxyanilino)benzamide
PubChem CID43448410
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-amino-4-(3,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(C(N)=O)cc2N)cc1OC
InChIInChI=1S/C15H17N3O3/c1-20-13-6-4-10(8-14(13)21-2)18-12-5-3-9(15(17)19)7-11(12)16/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyDSHCDRYEFQSNCV-UHFFFAOYSA-N
XLogP2.13
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
3-amino-4-(3-bromo-5-methoxyanilino)benzamide
CID 82857398
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228
3-chloro-4-(3,4-dimethoxyanilino)benzenecarbothioamide
CID 63086601
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethoxyanilino)benzamide?
The IUPAC name of 3-amino-4-(3,4-dimethoxyanilino)benzamide (CID 43448410) is 3-amino-4-(3,4-dimethoxyanilino)benzamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethoxyanilino)benzamide?
The canonical SMILES for 3-amino-4-(3,4-dimethoxyanilino)benzamide is COc1ccc(Nc2ccc(C(N)=O)cc2N)cc1OC.
What is the InChIKey of 3-amino-4-(3,4-dimethoxyanilino)benzamide?
The InChIKey is DSHCDRYEFQSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-6-4-10(8-14(13)21-2)18-12-5-3-9(15(17)19)7-11(12)16/h3-8,18H,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-(3,4-dimethoxyanilino)benzamide?
3-amino-4-(3,4-dimethoxyanilino)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethoxyanilino)benzamide is sourced from PubChem (CID 43448410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).