N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide

C17H19NO3 — CID 110006023

IUPACN-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(20)18(2)16-7-9-17(10-8-16)21-12-15-5-3-14(11-19)4-6-15/h3-10,19H,11-12H2,1-2H3
InChIKeyHXIFUHYOTYXNFR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide

N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide (PubChem CID 110006023) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide
PubChem CID110006023
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-13(20)18(2)16-7-9-17(10-8-16)21-12-15-5-3-14(11-19)4-6-15/h3-10,19H,11-12H2,1-2H3
InChIKeyHXIFUHYOTYXNFR-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
[4-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 86004724
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
2-[4-[acetyl(methyl)amino]phenyl]acetic acid
CID 20670865
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
1-[4,4-bis[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]piperidin-1-yl]ethanone
CID 11146057
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
N-[3-[acetyl(methyl)amino]phenyl]-4-phenylmethoxybenzamide
CID 46761920
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide (CID 110006023) is N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(OCc2ccc(CO)cc2)cc1.
What is the InChIKey of N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide?
The InChIKey is HXIFUHYOTYXNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(20)18(2)16-7-9-17(10-8-16)21-12-15-5-3-14(11-19)4-6-15/h3-10,19H,11-12H2,1-2H3.
What are the key properties of N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide?
N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide has a molecular weight of 285.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 110006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).