N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide

C18H22N2O — CID 103144350

IUPACN-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)C)cc2)c(C)cc1N
InChIInChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-12(3)16(19)9-13(17)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyYCMPHSPULATIIG-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.26
Rot. Bonds3

About N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide

N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide (PubChem CID 103144350) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
PubChem CID103144350
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)C)cc2)c(C)cc1N
InChIInChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-12(3)16(19)9-13(17)4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyYCMPHSPULATIIG-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-2,5-dimethylphenyl)-4-(dimethylamino)benzamide
CID 103144355
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide (CID 103144350) is N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide is Cc1cc(NC(=O)c2ccc(C(C)C)cc2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide?
The InChIKey is YCMPHSPULATIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-12(3)16(19)9-13(17)4/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide?
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 103144350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).