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

C16H27ClN2O2 — CID 119722678

IUPAC2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-6-8-15(9-7-13)20-11-5-4-10-18-16(19)14(2)12-17-3;/h6-9,14,17H,4-5,10-12H2,1-3H3,(H,18,19);1H
InChIKeyMNAXUSAUBSSECI-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.55
Rot. Bonds9

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

2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride (PubChem CID 119722678) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
PubChem CID119722678
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCCCOc1ccc(C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13-6-8-15(9-7-13)20-11-5-4-10-18-16(19)14(2)12-17-3;/h6-9,14,17H,4-5,10-12H2,1-3H3,(H,18,19);1H
InChIKeyMNAXUSAUBSSECI-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.55
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

2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
CID 119777480
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
2-[3-(4-methylphenoxy)propylcarbamoylamino]propanoic acid
CID 108881262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride (CID 119722678) is 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCCCOc1ccc(C)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride?
The InChIKey is MNAXUSAUBSSECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13-6-8-15(9-7-13)20-11-5-4-10-18-16(19)14(2)12-17-3;/h6-9,14,17H,4-5,10-12H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.55, 9 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-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride is sourced from PubChem (CID 119722678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).