N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H21ClF2N2O3 — CID 119716606

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-10(18-13(19)9-17-7-8-20-2)11-5-3-4-6-12(11)21-14(15)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19);1H
InChIKeyQADBALADPJOGSQ-UHFFFAOYSA-N
MW338.78 g/mol
LogP2.12
Rot. Bonds9

About N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119716606) has the molecular formula C14H21ClF2N2O3 and a molecular weight of 338.78 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119716606
Molecular FormulaC14H21ClF2N2O3
Molecular Weight338.78 g/mol
Exact Mass338.12
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C14H20F2N2O3.ClH/c1-10(18-13(19)9-17-7-8-20-2)11-5-3-4-6-12(11)21-14(15)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19);1H
InChIKeyQADBALADPJOGSQ-UHFFFAOYSA-N
XLogP2.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.78
LogP ≤ 52.12
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-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119782792
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119716606) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(C)c1ccccc1OC(F)F.Cl.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is QADBALADPJOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3.ClH/c1-10(18-13(19)9-17-7-8-20-2)11-5-3-4-6-12(11)21-14(15)16;/h3-6,10,14,17H,7-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 338.78 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119716606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).