N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide

C18H22N2O — CID 43601336

IUPACN-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H22N2O/c1-4-19-12-15-7-5-6-8-17(15)20-18(21)16-10-13(2)9-14(3)11-16/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyKMAVQPBGLAUZME-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide

N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide (PubChem CID 43601336) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
PubChem CID43601336
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C18H22N2O/c1-4-19-12-15-7-5-6-8-17(15)20-18(21)16-10-13(2)9-14(3)11-16/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyKMAVQPBGLAUZME-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

3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide (CID 43601336) is N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide is CCNCc1ccccc1NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is KMAVQPBGLAUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-19-12-15-7-5-6-8-17(15)20-18(21)16-10-13(2)9-14(3)11-16/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide?
N-[2-(ethylaminomethyl)phenyl]-3,5-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-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 43601336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).