N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide

C13H17NO3 — CID 115696780

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC1(O)CCC1
InChIInChI=1S/C13H17NO3/c15-11-4-2-10(3-5-11)8-12(16)14-9-13(17)6-1-7-13/h2-5,15,17H,1,6-9H2,(H,14,16)
InChIKeyYVTDRVXRAIIJIZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.97
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 115696780) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID115696780
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCC1(O)CCC1
InChIInChI=1S/C13H17NO3/c15-11-4-2-10(3-5-11)8-12(16)14-9-13(17)6-1-7-13/h2-5,15,17H,1,6-9H2,(H,14,16)
InChIKeyYVTDRVXRAIIJIZ-UHFFFAOYSA-N
XLogP0.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449344
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111485845
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide (CID 115696780) is N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is YVTDRVXRAIIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-4-2-10(3-5-11)8-12(16)14-9-13(17)6-1-7-13/h2-5,15,17H,1,6-9H2,(H,14,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 235.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 115696780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).