2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C14H19F2NO3 — CID 43572897

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-10(2)17(7-8-18)13(19)9-11-3-5-12(6-4-11)20-14(15)16/h3-6,10,14,18H,7-9H2,1-2H3
InChIKeyGSEVCAXNAQBEQB-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.06
Rot. Bonds7

About 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572897) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572897
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-10(2)17(7-8-18)13(19)9-11-3-5-12(6-4-11)20-14(15)16/h3-6,10,14,18H,7-9H2,1-2H3
InChIKeyGSEVCAXNAQBEQB-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572893
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(2R,3S)-3-methylsulfonylbutan-2-yl]acetamide
CID 95329453
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 77000859
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572897) is 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is GSEVCAXNAQBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-10(2)17(7-8-18)13(19)9-11-3-5-12(6-4-11)20-14(15)16/h3-6,10,14,18H,7-9H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 287.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).