N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C15H22ClFN2O3 — CID 119681187

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)NCCOc1ccccc1F
InChIInChI=1S/C15H21FN2O3.ClH/c16-13-5-1-2-6-14(13)21-9-7-18-15(19)11-17-10-12-4-3-8-20-12;/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19);1H
InChIKeyNYXWZTKYUGWDMJ-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.51
Rot. Bonds8

About N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119681187) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119681187
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)NCCOc1ccccc1F
InChIInChI=1S/C15H21FN2O3.ClH/c16-13-5-1-2-6-14(13)21-9-7-18-15(19)11-17-10-12-4-3-8-20-12;/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19);1H
InChIKeyNYXWZTKYUGWDMJ-UHFFFAOYSA-N
XLogP1.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119689703
N-[2-(3-methylphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689704
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119726630
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119681187) is N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CCCO1)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is NYXWZTKYUGWDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c16-13-5-1-2-6-14(13)21-9-7-18-15(19)11-17-10-12-4-3-8-20-12;/h1-2,5-6,12,17H,3-4,7-11H2,(H,18,19);1H.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119681187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).