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

C17H21ClN2O3 — CID 154890001

IUPAC2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccccc1OCCOc1ccccc1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-13-17(20)19-15-9-5-6-10-16(15)22-12-11-21-14-7-3-2-4-8-14;/h2-10,18H,11-13H2,1H3,(H,19,20);1H
InChIKeyWBPYHHRENWHTNT-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.72
Rot. Bonds8

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

2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride (PubChem CID 154890001) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
PubChem CID154890001
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1ccccc1OCCOc1ccccc1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-13-17(20)19-15-9-5-6-10-16(15)22-12-11-21-14-7-3-2-4-8-14;/h2-10,18H,11-13H2,1H3,(H,19,20);1H
InChIKeyWBPYHHRENWHTNT-UHFFFAOYSA-N
XLogP2.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.72
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-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54811936

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride (CID 154890001) is 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1ccccc1OCCOc1ccccc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is WBPYHHRENWHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c1-18-13-17(20)19-15-9-5-6-10-16(15)22-12-11-21-14-7-3-2-4-8-14;/h2-10,18H,11-13H2,1H3,(H,19,20);1H.
What are the key properties of 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 154890001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).