2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide

C12H17NO3 — CID 110678201

IUPAC2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COCCO
InChIInChI=1S/C12H17NO3/c1-10-4-2-3-5-11(10)8-13-12(15)9-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyHWUUTRBMRYJYFO-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.62
Rot. Bonds6

About 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide

2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 110678201) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID110678201
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COCCO
InChIInChI=1S/C12H17NO3/c1-10-4-2-3-5-11(10)8-13-12(15)9-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15)
InChIKeyHWUUTRBMRYJYFO-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[(2-methylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604971
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
[2-(methylamino)-2-oxoethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8772697
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339
cis-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230512
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346662
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide (CID 110678201) is 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is HWUUTRBMRYJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10-4-2-3-5-11(10)8-13-12(15)9-16-7-6-14/h2-5,14H,6-9H2,1H3,(H,13,15).
What are the key properties of 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide?
2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 223.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110678201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).