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

C19H25ClN2O2 — CID 120624405

IUPAC5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1ccccc1OCC(C)C.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)12-23-18-7-5-4-6-15(18)11-21-19(22)17-10-16(20)9-8-14(17)3;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H
InChIKeyPGPCVSCEFNHAIO-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.96
Rot. Bonds6

About 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride

5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride (PubChem CID 120624405) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
PubChem CID120624405
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCc1ccccc1OCC(C)C.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(2)12-23-18-7-5-4-6-15(18)11-21-19(22)17-10-16(20)9-8-14(17)3;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H
InChIKeyPGPCVSCEFNHAIO-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
5-amino-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 120626378
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
2-amino-2-(4-methylphenyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667659
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
1,1-diethyl-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60562621
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride (CID 120624405) is 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCc1ccccc1OCC(C)C.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
The InChIKey is PGPCVSCEFNHAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-13(2)12-23-18-7-5-4-6-15(18)11-21-19(22)17-10-16(20)9-8-14(17)3;/h4-10,13H,11-12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120624405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).