N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide

C18H22N2O — CID 106910156

IUPACN-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
SMILESCCNCc1ccc(NC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-19-12-15-7-9-16(10-8-15)20-18(21)17-11-13(2)5-6-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyQUUJQGKCCNDXIM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide

N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide (PubChem CID 106910156) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
PubChem CID106910156
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide
SMILESCCNCc1ccc(NC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22N2O/c1-4-19-12-15-7-9-16(10-8-15)20-18(21)17-11-13(2)5-6-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyQUUJQGKCCNDXIM-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
2,5-dimethyl-N-(4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]benzamide
CID 158719301
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide (CID 106910156) is N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide is CCNCc1ccc(NC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide?
The InChIKey is QUUJQGKCCNDXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-19-12-15-7-9-16(10-8-15)20-18(21)17-11-13(2)5-6-14(17)3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide?
N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 106910156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).