2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

C14H21NO3 — CID 113229806

IUPAC2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-11(2)10-18-7-6-15-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyVJKLUVZYLANQLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.72
Rot. Bonds7

About 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide

2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (PubChem CID 113229806) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
PubChem CID113229806
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
SMILESCC(C)COCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-11(2)10-18-7-6-15-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyVJKLUVZYLANQLZ-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.72
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-(3-hydroxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55220652
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 61399819
N-[2-(2-methoxyethoxy)ethyl]-2-(3-methoxyphenyl)acetamide
CID 86985384
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
N-(1-ethoxy-3-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 103280835
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide (CID 113229806) is 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is CC(C)COCCNC(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
The InChIKey is VJKLUVZYLANQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)10-18-7-6-15-14(17)9-12-4-3-5-13(16)8-12/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide?
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide is sourced from PubChem (CID 113229806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).