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

C17H20N2O2 — CID 60918064

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-21-16-9-7-15(8-10-16)17(20)19-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyWMPKGWIAWMIMLB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds6

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

N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide (PubChem CID 60918064) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
PubChem CID60918064
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-21-16-9-7-15(8-10-16)17(20)19-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyWMPKGWIAWMIMLB-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

Analyze N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 62952156
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide (CID 60918064) is N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
The InChIKey is WMPKGWIAWMIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-21-16-9-7-15(8-10-16)17(20)19-12-14-5-3-13(11-18)4-6-14/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide?
N-[[4-(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-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide is sourced from PubChem (CID 60918064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).