N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide

C17H20N2O2 — CID 62952156

IUPACN-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O2/c1-2-21-16-9-7-13(8-10-16)17(20)19-12-15-6-4-3-5-14(15)11-18/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyKUDZGNJFCSFBJZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide

N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide (PubChem CID 62952156) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
PubChem CID62952156
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O2/c1-2-21-16-9-7-13(8-10-16)17(20)19-12-15-6-4-3-5-14(15)11-18/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyKUDZGNJFCSFBJZ-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
[4-[[2-[[(4-ethoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931575
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide (CID 62952156) is N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2ccccc2CN)cc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The InChIKey is KUDZGNJFCSFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-21-16-9-7-13(8-10-16)17(20)19-12-15-6-4-3-5-14(15)11-18/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide is sourced from PubChem (CID 62952156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).