2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119944826

IUPAC2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14-8-3-6-11-17(14)22-13-7-12-20(2)18(21)15-9-4-5-10-16(15)19;/h3-6,8-11H,7,12-13,19H2,1-2H3;1H
InChIKeyZQFFSAHWYMGXSI-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.54
Rot. Bonds6

About 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride

2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride (PubChem CID 119944826) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
PubChem CID119944826
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14-8-3-6-11-17(14)22-13-7-12-20(2)18(21)15-9-4-5-10-16(15)19;/h3-6,8-11H,7,12-13,19H2,1-2H3;1H
InChIKeyZQFFSAHWYMGXSI-UHFFFAOYSA-N
XLogP3.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
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

2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
CID 106853383
N,2,5-trimethyl-N-[3-(2-methylphenoxy)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55956171
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride (CID 119944826) is 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride is Cc1ccccc1OCCCN(C)C(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
The InChIKey is ZQFFSAHWYMGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-14-8-3-6-11-17(14)22-13-7-12-20(2)18(21)15-9-4-5-10-16(15)19;/h3-6,8-11H,7,12-13,19H2,1-2H3;1H.
What are the key properties of 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride?
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119944826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).