3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide

C16H23NO3 — CID 66006892

IUPAC3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11-5-12(2)7-15(6-11)20-4-3-16(19)17-10-13-8-14(18)9-13/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyZHPRVIINSPZLDO-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.96
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide

3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 66006892) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID66006892
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NCC2CC(O)C2)c1
InChIInChI=1S/C16H23NO3/c1-11-5-12(2)7-15(6-11)20-4-3-16(19)17-10-13-8-14(18)9-13/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19)
InChIKeyZHPRVIINSPZLDO-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339
1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99830440
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66004697
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941
3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279864
N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (CID 66006892) is 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is Cc1cc(C)cc(OCCC(=O)NCC2CC(O)C2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is ZHPRVIINSPZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-5-12(2)7-15(6-11)20-4-3-16(19)17-10-13-8-14(18)9-13/h5-7,13-14,18H,3-4,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 277.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 66006892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).