3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119751160

IUPAC3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)c2cccc(N)c2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13(2)12-22-17-8-3-5-14(9-17)11-20-18(21)15-6-4-7-16(19)10-15;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyWLEKKHWKHJJGNA-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.66
Rot. Bonds6

About 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride

3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride (PubChem CID 119751160) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
PubChem CID119751160
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)c2cccc(N)c2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13(2)12-22-17-8-3-5-14(9-17)11-20-18(21)15-6-4-7-16(19)10-15;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyWLEKKHWKHJJGNA-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride 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

1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
2-amino-2-(4-methylphenyl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667859

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride (CID 119751160) is 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride is CC(C)COc1cccc(CNC(=O)c2cccc(N)c2)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The InChIKey is WLEKKHWKHJJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13(2)12-22-17-8-3-5-14(9-17)11-20-18(21)15-6-4-7-16(19)10-15;/h3-10,13H,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119751160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).