N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide

C17H20N2O — CID 28866890

IUPACN-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1N
InChIInChI=1S/C17H20N2O/c1-4-13-7-8-15(10-16(13)18)19-17(20)14-6-5-11(2)12(3)9-14/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyHAMROGQPUAKGFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.70
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide

N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide (PubChem CID 28866890) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
PubChem CID28866890
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1N
InChIInChI=1S/C17H20N2O/c1-4-13-7-8-15(10-16(13)18)19-17(20)14-6-5-11(2)12(3)9-14/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyHAMROGQPUAKGFN-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

N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide (CID 28866890) is N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide is CCc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide?
The InChIKey is HAMROGQPUAKGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-13-7-8-15(10-16(13)18)19-17(20)14-6-5-11(2)12(3)9-14/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide?
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide 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-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 28866890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).