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

C16H27N3O2 — CID 82989662

IUPAC3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
SMILESCC(C)CC(C)(O)CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H27N3O2/c1-11(2)9-16(3,21)10-18-14-7-6-12(8-13(14)17)15(20)19(4)5/h6-8,11,18,21H,9-10,17H2,1-5H3
InChIKeyXOHQDMGQAWUIIP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.18
Rot. Bonds6

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

3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide (PubChem CID 82989662) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
PubChem CID82989662
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
SMILESCC(C)CC(C)(O)CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H27N3O2/c1-11(2)9-16(3,21)10-18-14-7-6-12(8-13(14)17)15(20)19(4)5/h6-8,11,18,21H,9-10,17H2,1-5H3
InChIKeyXOHQDMGQAWUIIP-UHFFFAOYSA-N
XLogP2.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
CID 82990428
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzamide
CID 83000517
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-4-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-methylbenzamide
CID 106141662
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide (CID 82989662) is 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide is CC(C)CC(C)(O)CNc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
The InChIKey is XOHQDMGQAWUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)9-16(3,21)10-18-14-7-6-12(8-13(14)17)15(20)19(4)5/h6-8,11,18,21H,9-10,17H2,1-5H3.
What are the key properties of 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82989662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).