N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide

C12H17NO3 — CID 82175838

IUPACN-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
SMILESCOCC(O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-10-3-5-11(6-4-10)12(15)8-16-2/h3-6,12,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyDBRXAMXWWAMRGG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds5

About N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide

N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide (PubChem CID 82175838) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
PubChem CID82175838
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
SMILESCOCC(O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)13-7-10-3-5-11(6-4-10)12(15)8-16-2/h3-6,12,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyDBRXAMXWWAMRGG-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
CID 173353549
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide (CID 82175838) is N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide is COCC(O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide?
The InChIKey is DBRXAMXWWAMRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)13-7-10-3-5-11(6-4-10)12(15)8-16-2/h3-6,12,15H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide?
N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 82175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).