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

C14H23N3O — CID 63356484

IUPAC4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
SMILESCC(N(C)c1cc(C(N)=O)ccc1N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)12-8-10(13(16)18)6-7-11(12)15/h6-9H,15H2,1-5H3,(H2,16,18)
InChIKeyYAIFOVHWHNRLTQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.24
Rot. Bonds3

About 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide

4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide (PubChem CID 63356484) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
PubChem CID63356484
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
SMILESCC(N(C)c1cc(C(N)=O)ccc1N)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)12-8-10(13(16)18)6-7-11(12)15/h6-9H,15H2,1-5H3,(H2,16,18)
InChIKeyYAIFOVHWHNRLTQ-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

ethyl 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 82785674
methyl 3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]benzoate
CID 55009573
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
4-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 62120440
4-amino-3-[2,2-dimethylpropyl(methoxy)amino]benzamide
CID 114276991
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbenzenecarbothioamide
CID 55008650
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
4-amino-3-tert-butylsulfanylbenzamide
CID 63356717
4-amino-3-[1-(4-chlorophenyl)ethyl-methylamino]benzoic acid
CID 82776530
3-amino-4-[1-cyclopropylethyl(methyl)amino]benzamide
CID 43568852

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The IUPAC name of 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide (CID 63356484) is 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide is CC(N(C)c1cc(C(N)=O)ccc1N)C(C)(C)C.
What is the InChIKey of 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
The InChIKey is YAIFOVHWHNRLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(14(2,3)4)17(5)12-8-10(13(16)18)6-7-11(12)15/h6-9H,15H2,1-5H3,(H2,16,18).
What are the key properties of 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide?
4-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 4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide is sourced from PubChem (CID 63356484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).