N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide

C15H21NO4 — CID 115878186

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C15H21NO4/c1-19-12-3-5-13(6-4-12)20-10-7-14(18)16-15(11-17)8-2-9-15/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyQANKVEFQGIQVBP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.50
Rot. Bonds7

About N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide

N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 115878186) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID115878186
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C15H21NO4/c1-19-12-3-5-13(6-4-12)20-10-7-14(18)16-15(11-17)8-2-9-15/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyQANKVEFQGIQVBP-UHFFFAOYSA-N
XLogP1.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
1-[3-(4-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81157933
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
2-[1-[3-(4-methoxyphenyl)sulfanylpropanoylamino]cyclobutyl]acetic acid
CID 119217418
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide (CID 115878186) is N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NC2(CO)CCC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is QANKVEFQGIQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-3-5-13(6-4-12)20-10-7-14(18)16-15(11-17)8-2-9-15/h3-6,17H,2,7-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 115878186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).