3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide

C17H20N2O2 — CID 28574208

IUPAC3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
SMILESCOc1ccc(CCNCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-16-7-5-13(6-8-16)9-10-19-12-14-3-2-4-15(11-14)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20)
InChIKeyUFKUOBOWACYAPE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds7

About 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide

3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide (PubChem CID 28574208) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
PubChem CID28574208
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
SMILESCOc1ccc(CCNCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-16-7-5-13(6-8-16)9-10-19-12-14-3-2-4-15(11-14)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20)
InChIKeyUFKUOBOWACYAPE-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide (CID 28574208) is 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide is COc1ccc(CCNCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide?
The InChIKey is UFKUOBOWACYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-7-5-13(6-8-16)9-10-19-12-14-3-2-4-15(11-14)17(18)20/h2-8,11,19H,9-10,12H2,1H3,(H2,18,20).
What are the key properties of 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide?
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 28574208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).