N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide

C14H19NO3 — CID 79038917

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H19NO3/c16-13(10-12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,17H,6-11H2,(H,15,16)
InChIKeyYRFBHZYSIOGKKT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.89
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide (PubChem CID 79038917) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
PubChem CID79038917
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(O)CCOCC1
InChIInChI=1S/C14H19NO3/c16-13(10-12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,17H,6-11H2,(H,15,16)
InChIKeyYRFBHZYSIOGKKT-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylprop-2-ynamide
CID 79488152
3-[2-[(4-hydroxyoxan-4-yl)methylcarbamoyl]phenyl]propanoic acid
CID 146133270

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide (CID 79038917) is N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide?
The InChIKey is YRFBHZYSIOGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(10-12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,17H,6-11H2,(H,15,16).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 79038917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).