3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide

C13H21N3O — CID 104827416

IUPAC3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1ccc(C(N)=O)cc1N)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-6-5-9(12(15)17)7-10(11)14/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyZFOPJSFDIVDMJN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide

3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide (PubChem CID 104827416) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
PubChem CID104827416
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
SMILESCC(Nc1ccc(C(N)=O)cc1N)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-6-5-9(12(15)17)7-10(11)14/h5-8,16H,14H2,1-4H3,(H2,15,17)
InChIKeyZFOPJSFDIVDMJN-UHFFFAOYSA-N
XLogP2.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
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-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
3-amino-4-(ethylamino)benzamide
CID 43448330
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
3-amino-4-(1-cyclopropylpropan-2-ylamino)benzamide
CID 63990338
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
3-amino-4-(3-ethylpentan-3-ylamino)benzamide
CID 65039779
tert-butyl N-[4-(2-amino-4-carbamoylanilino)pentyl]carbamate
CID 164903401
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide?
The IUPAC name of 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide (CID 104827416) is 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide is CC(Nc1ccc(C(N)=O)cc1N)C(C)(C)C.
What is the InChIKey of 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide?
The InChIKey is ZFOPJSFDIVDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(13(2,3)4)16-11-6-5-9(12(15)17)7-10(11)14/h5-8,16H,14H2,1-4H3,(H2,15,17).
What are the key properties of 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide?
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide is sourced from PubChem (CID 104827416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).