2-[[(4-ethylphenyl)methylamino]methyl]benzamide

C17H20N2O — CID 106899663

IUPAC2-[[(4-ethylphenyl)methylamino]methyl]benzamide
SMILESCCc1ccc(CNCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-7-9-14(10-8-13)11-19-12-15-5-3-4-6-16(15)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20)
InChIKeyQHRNQKQLXXEYOX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.64
Rot. Bonds6

About 2-[[(4-ethylphenyl)methylamino]methyl]benzamide

2-[[(4-ethylphenyl)methylamino]methyl]benzamide (PubChem CID 106899663) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)methylamino]methyl]benzamide
PubChem CID106899663
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[[(4-ethylphenyl)methylamino]methyl]benzamide
SMILESCCc1ccc(CNCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-2-13-7-9-14(10-8-13)11-19-12-15-5-3-4-6-16(15)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20)
InChIKeyQHRNQKQLXXEYOX-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(benzylamino)methyl]benzamide
CID 22341819
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 65106384
methyl 2-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60781352
2-[2-(ethylamino)ethyl]benzamide
CID 70462261
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899
2-(4-ethylanilino)benzamide
CID 177472959
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
2-[(4-butylanilino)methyl]benzamide
CID 43378453
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
2-(methanesulfonamidomethyl)benzamide
CID 69038851

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]benzamide?
The IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]benzamide (CID 106899663) is 2-[[(4-ethylphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(4-ethylphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(4-ethylphenyl)methylamino]methyl]benzamide is CCc1ccc(CNCc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)methylamino]methyl]benzamide?
The InChIKey is QHRNQKQLXXEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-7-9-14(10-8-13)11-19-12-15-5-3-4-6-16(15)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20).
What are the key properties of 2-[[(4-ethylphenyl)methylamino]methyl]benzamide?
2-[[(4-ethylphenyl)methylamino]methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 106899663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).