5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide

C17H20N2O — CID 102704827

IUPAC5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCc2ccccc2)cc1N
InChIInChI=1S/C17H20N2O/c1-12-10-13(2)16(18)11-15(12)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYBZRDSONABRKKP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.86
Rot. Bonds4

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

5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide (PubChem CID 102704827) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
PubChem CID102704827
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCc2ccccc2)cc1N
InChIInChI=1S/C17H20N2O/c1-12-10-13(2)16(18)11-15(12)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyYBZRDSONABRKKP-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.86
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

2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
4-methyl-3-N-[2-(4-phenylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166367703
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
CID 102705947
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide (CID 102704827) is 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide is Cc1cc(C)c(C(=O)NCCc2ccccc2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide?
The InChIKey is YBZRDSONABRKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-13(2)16(18)11-15(12)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide?
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.86, 4 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 102704827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).