2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride

C14H23ClN2O2 — CID 119693834

IUPAC2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCOC(C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(13-7-4-3-5-8-13)18-10-6-9-16-14(17)11-15-2;/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17);1H
InChIKeyBMCIVPSNYSMBFZ-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.91
Rot. Bonds8

About 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride (PubChem CID 119693834) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
PubChem CID119693834
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCOC(C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-12(13-7-4-3-5-8-13)18-10-6-9-16-14(17)11-15-2;/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17);1H
InChIKeyBMCIVPSNYSMBFZ-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride (CID 119693834) is 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride is CNCC(=O)NCCCOC(C)c1ccccc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride?
The InChIKey is BMCIVPSNYSMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-12(13-7-4-3-5-8-13)18-10-6-9-16-14(17)11-15-2;/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119693834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).