N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide

C16H23NO3 — CID 115668941

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H23NO3/c1-12(2)13-6-3-4-7-14(13)20-10-15(18)17-11-16(19)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyANYIYKXVQOCACM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 115668941) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID115668941
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H23NO3/c1-12(2)13-6-3-4-7-14(13)20-10-15(18)17-11-16(19)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyANYIYKXVQOCACM-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 114750966
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide (CID 115668941) is N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ANYIYKXVQOCACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)13-6-3-4-7-14(13)20-10-15(18)17-11-16(19)8-5-9-16/h3-4,6-7,12,19H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 115668941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).