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

C14H23ClN2O3 — CID 120831954

IUPACN-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COCCOc1ccccc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-12(15-2)10-16-14(17)11-18-8-9-19-13-6-4-3-5-7-13;/h3-7,12,15H,8-11H2,1-2H3,(H,16,17);1H
InChIKeyUFHHAOWKLIOFLT-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.23
Rot. Bonds9

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

N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride (PubChem CID 120831954) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
PubChem CID120831954
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COCCOc1ccccc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-12(15-2)10-16-14(17)11-18-8-9-19-13-6-4-3-5-7-13;/h3-7,12,15H,8-11H2,1-2H3,(H,16,17);1H
InChIKeyUFHHAOWKLIOFLT-UHFFFAOYSA-N
XLogP1.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.23
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-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
2-phenoxyethyl 2-(methylamino)propanoate
CID 62638181
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
N-[2-(methanesulfonamido)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47034582
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
CID 94806016
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride (CID 120831954) is N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride is CNC(C)CNC(=O)COCCOc1ccccc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride?
The InChIKey is UFHHAOWKLIOFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-12(15-2)10-16-14(17)11-18-8-9-19-13-6-4-3-5-7-13;/h3-7,12,15H,8-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride is sourced from PubChem (CID 120831954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).