2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride

C14H23ClN2O2 — CID 119681162

IUPAC2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11-4-6-13(7-5-11)18-9-8-16-14(17)12(2)10-15-3;/h4-7,12,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyRNFXSGDIICNKSI-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.77
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119681162) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
PubChem CID119681162
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11-4-6-13(7-5-11)18-9-8-16-14(17)12(2)10-15-3;/h4-7,12,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyRNFXSGDIICNKSI-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.77
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

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CID 119722678
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CID 119777480
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
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(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenoxy)ethyl]urea
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N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride (CID 119681162) is 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCOc1ccc(C)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is RNFXSGDIICNKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11-4-6-13(7-5-11)18-9-8-16-14(17)12(2)10-15-3;/h4-7,12,15H,8-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119681162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).