N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide

C17H20N2O — CID 50880299

IUPACN-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1
InChIInChI=1S/C17H20N2O/c1-4-13-5-7-14(8-6-13)17(20)19-16-11(2)9-15(18)10-12(16)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyAKCKTOKACLMPHW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.70
Rot. Bonds3

About N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide

N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide (PubChem CID 50880299) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
PubChem CID50880299
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1
InChIInChI=1S/C17H20N2O/c1-4-13-5-7-14(8-6-13)17(20)19-16-11(2)9-15(18)10-12(16)3/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyAKCKTOKACLMPHW-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.70
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

4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
CID 107702239
4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(2,6-dimethylphenyl)-4-[(4-ethylphenoxy)methyl]benzamide
CID 1226229

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide (CID 50880299) is N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide?
The InChIKey is AKCKTOKACLMPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-13-5-7-14(8-6-13)17(20)19-16-11(2)9-15(18)10-12(16)3/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide?
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 50880299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).