5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride

C19H25ClN2O2 — CID 120622289

IUPAC5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-5-9-17(10-6-14)23-12-4-3-11-21-19(22)18-13-16(20)8-7-15(18)2;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyXUTGOCUYYIRVAQ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.90
Rot. Bonds7

About 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride

5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride (PubChem CID 120622289) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
PubChem CID120622289
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)c2cc(N)ccc2C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-14-5-9-17(10-6-14)23-12-4-3-11-21-19(22)18-13-16(20)8-7-15(18)2;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H
InChIKeyXUTGOCUYYIRVAQ-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
5-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylbenzamide
CID 120630633
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
CID 120642057
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
5-amino-2-methyl-N-[4-(2-methylimidazol-1-yl)butyl]benzamide;dihydrochloride
CID 120647272
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride (CID 120622289) is 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride is Cc1ccc(OCCCCNC(=O)c2cc(N)ccc2C)cc1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride?
The InChIKey is XUTGOCUYYIRVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-14-5-9-17(10-6-14)23-12-4-3-11-21-19(22)18-13-16(20)8-7-15(18)2;/h5-10,13H,3-4,11-12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.90, 7 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-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride is sourced from PubChem (CID 120622289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).