N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H23ClN2O3 — CID 119723429

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11(10-15-2)14(17)16-12-4-6-13(7-5-12)19-9-8-18-3;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyQGTXJNQRZXCJIW-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.93
Rot. Bonds8

About N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119723429) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119723429
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11(10-15-2)14(17)16-12-4-6-13(7-5-12)19-9-8-18-3;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyQGTXJNQRZXCJIW-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
CID 119692969
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119723429) is N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(OCCOC)cc1.Cl.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is QGTXJNQRZXCJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-11(10-15-2)14(17)16-12-4-6-13(7-5-12)19-9-8-18-3;/h4-7,11,15H,8-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119723429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).