3-amino-4-(3-methylbutylamino)benzamide

C12H19N3O — CID 43448346

IUPAC3-amino-4-(3-methylbutylamino)benzamide
SMILESCC(C)CCNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-8(2)5-6-15-11-4-3-9(12(14)16)7-10(11)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H2,14,16)
InChIKeyAFEDWWKITLCATA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-4-(3-methylbutylamino)benzamide

3-amino-4-(3-methylbutylamino)benzamide (PubChem CID 43448346) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-4-(3-methylbutylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(3-methylbutylamino)benzamide
PubChem CID43448346
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-4-(3-methylbutylamino)benzamide
SMILESCC(C)CCNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-8(2)5-6-15-11-4-3-9(12(14)16)7-10(11)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H2,14,16)
InChIKeyAFEDWWKITLCATA-UHFFFAOYSA-N
XLogP1.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-(3-methylbutylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100635404
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-(3-methylbutylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 11668137
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(3-methylsulfinylpropylamino)benzamide
CID 113487205
4-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 18334758
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylbutylamino)benzamide?
The IUPAC name of 3-amino-4-(3-methylbutylamino)benzamide (CID 43448346) is 3-amino-4-(3-methylbutylamino)benzamide.
What is the SMILES notation for 3-amino-4-(3-methylbutylamino)benzamide?
The canonical SMILES for 3-amino-4-(3-methylbutylamino)benzamide is CC(C)CCNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(3-methylbutylamino)benzamide?
The InChIKey is AFEDWWKITLCATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)5-6-15-11-4-3-9(12(14)16)7-10(11)13/h3-4,7-8,15H,5-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-4-(3-methylbutylamino)benzamide?
3-amino-4-(3-methylbutylamino)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylbutylamino)benzamide is sourced from PubChem (CID 43448346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).