4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide

C15H25N3O2 — CID 106183600

IUPAC4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-14(2,15(3,4)20)17-12-9-10(16)7-8-11(12)13(19)18(5)6/h7-9,17,20H,16H2,1-6H3
InChIKeyQIAIWFIHZAMPBV-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide

4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide (PubChem CID 106183600) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
PubChem CID106183600
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H25N3O2/c1-14(2,15(3,4)20)17-12-9-10(16)7-8-11(12)13(19)18(5)6/h7-9,17,20H,16H2,1-6H3
InChIKeyQIAIWFIHZAMPBV-UHFFFAOYSA-N
XLogP1.93
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 114615222
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CID 65102756
5-amino-N,N-dimethyl-2-(methylamino)benzamide
CID 71669096
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
4-amino-2-(2-methylpentan-2-ylamino)benzamide
CID 113471591
4-amino-2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 79866956
4-amino-2-(3,3-dimethylbutoxy)-N,N-dimethylbenzamide
CID 66233795
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
4-amino-2-(3,3-dimethylbutanoylamino)benzoic acid
CID 63116322
4-amino-2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dimethylbenzamide
CID 104551127
3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
CID 106183405

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide (CID 106183600) is 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1NC(C)(C)C(C)(C)O.
What is the InChIKey of 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide?
The InChIKey is QIAIWFIHZAMPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,15(3,4)20)17-12-9-10(16)7-8-11(12)13(19)18(5)6/h7-9,17,20H,16H2,1-6H3.
What are the key properties of 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide?
4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 106183600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).