3-[[(2-ethylphenyl)methylamino]methyl]benzamide

C17H20N2O — CID 62391737

IUPAC3-[[(2-ethylphenyl)methylamino]methyl]benzamide
SMILESCCc1ccccc1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O/c1-2-14-7-3-4-8-16(14)12-19-11-13-6-5-9-15(10-13)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20)
InChIKeyQVESXXNBAZASJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.64
Rot. Bonds6

About 3-[[(2-ethylphenyl)methylamino]methyl]benzamide

3-[[(2-ethylphenyl)methylamino]methyl]benzamide (PubChem CID 62391737) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[(2-ethylphenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-ethylphenyl)methylamino]methyl]benzamide
PubChem CID62391737
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[[(2-ethylphenyl)methylamino]methyl]benzamide
SMILESCCc1ccccc1CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O/c1-2-14-7-3-4-8-16(14)12-19-11-13-6-5-9-15(10-13)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20)
InChIKeyQVESXXNBAZASJN-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

3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
CID 115904619
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzamide
CID 43664707
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 119128960
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylphenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(2-ethylphenyl)methylamino]methyl]benzamide (CID 62391737) is 3-[[(2-ethylphenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-ethylphenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(2-ethylphenyl)methylamino]methyl]benzamide is CCc1ccccc1CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2-ethylphenyl)methylamino]methyl]benzamide?
The InChIKey is QVESXXNBAZASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-14-7-3-4-8-16(14)12-19-11-13-6-5-9-15(10-13)17(18)20/h3-10,19H,2,11-12H2,1H3,(H2,18,20).
What are the key properties of 3-[[(2-ethylphenyl)methylamino]methyl]benzamide?
3-[[(2-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 3-[[(2-ethylphenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 62391737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).