N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide

C14H19NO3 — CID 113344785

IUPACN-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NC1(CO)CCC1
InChIInChI=1S/C14H19NO3/c16-10-14(8-3-9-14)15-13(18)7-6-11-4-1-2-5-12(11)17/h1-2,4-5,16-17H,3,6-10H2,(H,15,18)
InChIKeyLVPMVYWVTBXEQZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide

N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 113344785) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID113344785
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NC1(CO)CCC1
InChIInChI=1S/C14H19NO3/c16-10-14(8-3-9-14)15-13(18)7-6-11-4-1-2-5-12(11)17/h1-2,4-5,16-17H,3,6-10H2,(H,15,18)
InChIKeyLVPMVYWVTBXEQZ-UHFFFAOYSA-N
XLogP1.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 110008754
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide (CID 113344785) is N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is LVPMVYWVTBXEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-14(8-3-9-14)15-13(18)7-6-11-4-1-2-5-12(11)17/h1-2,4-5,16-17H,3,6-10H2,(H,15,18).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide?
N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 113344785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).