2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide

C14H23N3O — CID 115545560

IUPAC2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
SMILESCC(N(C)c1cccc(C(N)=O)c1N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)11-8-6-7-10(12(11)15)13(16)18/h6-9H,15H2,1-5H3,(H2,16,18)
InChIKeyHTSBJFMKNGRRCF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide

2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide (PubChem CID 115545560) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
PubChem CID115545560
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
SMILESCC(N(C)c1cccc(C(N)=O)c1N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)11-8-6-7-10(12(11)15)13(16)18/h6-9H,15H2,1-5H3,(H2,16,18)
InChIKeyHTSBJFMKNGRRCF-UHFFFAOYSA-N
XLogP2.24
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 63356484
3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]benzoic acid
CID 112578604
methyl 3-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 112578605
2-amino-3-[1-hydroxypropan-2-yl(methyl)amino]benzoic acid
CID 104553690
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
CID 104540178
2-amino-6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 83207069
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The IUPAC name of 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide (CID 115545560) is 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide is CC(N(C)c1cccc(C(N)=O)c1N)C(C)(C)C.
What is the InChIKey of 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The InChIKey is HTSBJFMKNGRRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)11-8-6-7-10(12(11)15)13(16)18/h6-9H,15H2,1-5H3,(H2,16,18).
What are the key properties of 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide is sourced from PubChem (CID 115545560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).