2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

C18H21NO3 — CID 110891996

IUPAC2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccccc1CO)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-11,14,20H,12-13H2,1-2H3
InChIKeyVAGAGULKIALGPO-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.00
Rot. Bonds6

About 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide

2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 110891996) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
PubChem CID110891996
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccccc1CO)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-11,14,20H,12-13H2,1-2H3
InChIKeyVAGAGULKIALGPO-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 7701603
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 112788150
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
2-[2-oxo-2-(N-propan-2-ylanilino)ethoxy]-N-phenylbenzamide
CID 7919585
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
N-(4-aminophenyl)-2-[2-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 63652191
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
N-phenyl-2-(2-phenylethoxy)-N-propan-2-ylacetamide
CID 86777010
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 60772880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide (CID 110891996) is 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccccc1CO)c1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is VAGAGULKIALGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-11,14,20H,12-13H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide?
2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 299.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 110891996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).