5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide

C16H26N2O — CID 102705072

IUPAC5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC(C)CCC(C)C)cc1N
InChIInChI=1S/C16H26N2O/c1-10(2)6-7-13(5)18-16(19)14-9-15(17)12(4)8-11(14)3/h8-10,13H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyDOYSGOAAIKFLOI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.44
Rot. Bonds5

About 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide

5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide (PubChem CID 102705072) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
PubChem CID102705072
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
SMILESCc1cc(C)c(C(=O)NC(C)CCC(C)C)cc1N
InChIInChI=1S/C16H26N2O/c1-10(2)6-7-13(5)18-16(19)14-9-15(17)12(4)8-11(14)3/h8-10,13H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyDOYSGOAAIKFLOI-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide 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

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
3-methyl-4-(5-methylhexan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 63927112
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide (CID 102705072) is 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide is Cc1cc(C)c(C(=O)NC(C)CCC(C)C)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide?
The InChIKey is DOYSGOAAIKFLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)6-7-13(5)18-16(19)14-9-15(17)12(4)8-11(14)3/h8-10,13H,6-7,17H2,1-5H3,(H,18,19).
What are the key properties of 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide?
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide is sourced from PubChem (CID 102705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).