N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide

C14H20F2N2O4 — CID 119816348

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O4/c1-20-6-5-17-9-13(19)18-8-10-7-11(21-2)3-4-12(10)22-14(15)16/h3-4,7,14,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyOLUQNBWNMYHBLW-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.15
Rot. Bonds10

About N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119816348) has the molecular formula C14H20F2N2O4 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119816348
Molecular FormulaC14H20F2N2O4
Molecular Weight318.32 g/mol
Exact Mass318.14
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cc(OC)ccc1OC(F)F
InChIInChI=1S/C14H20F2N2O4/c1-20-6-5-17-9-13(19)18-8-10-7-11(21-2)3-4-12(10)22-14(15)16/h3-4,7,14,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyOLUQNBWNMYHBLW-UHFFFAOYSA-N
XLogP1.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120594092
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoylamino]butanoic acid
CID 122006058
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide (CID 119816348) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCc1cc(OC)ccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is OLUQNBWNMYHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O4/c1-20-6-5-17-9-13(19)18-8-10-7-11(21-2)3-4-12(10)22-14(15)16/h3-4,7,14,17H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 318.32 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119816348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).