N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride

C12H19ClN2O3 — CID 119723419

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-13-9-12(15)14-10-3-5-11(6-4-10)17-8-7-16-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyZAVPHTZGVQVPBD-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.29
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119723419) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119723419
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(OCCOC)cc1.Cl
InChIInChI=1S/C12H18N2O3.ClH/c1-13-9-12(15)14-10-3-5-11(6-4-10)17-8-7-16-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyZAVPHTZGVQVPBD-UHFFFAOYSA-N
XLogP1.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.29
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

2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119723419) is N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1ccc(OCCOC)cc1.Cl.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is ZAVPHTZGVQVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c1-13-9-12(15)14-10-3-5-11(6-4-10)17-8-7-16-2;/h3-6,13H,7-9H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.29, 7 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-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119723419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).