N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide

C12H17NO3 — CID 112686889

IUPACN-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-8-12(15)13-7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyLLELEKXSFDWEAL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.43
Rot. Bonds5

About N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide

N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 112686889) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
PubChem CID112686889
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-8-12(15)13-7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyLLELEKXSFDWEAL-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
(E)-3-[3-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 115949663
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686762
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
2-[4-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethoxy]phenyl]acetamide
CID 48677738
2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 54904297
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide (CID 112686889) is N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is LLELEKXSFDWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)16-8-12(15)13-7-10-4-3-5-11(14)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide?
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112686889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).