2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide

C13H18N2O2 — CID 107734828

IUPAC2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1(N)CCC1)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-15(10-4-2-5-11(16)8-10)12(17)9-13(14)6-3-7-13/h2,4-5,8,16H,3,6-7,9,14H2,1H3
InChIKeyASHBRJJPIINXMX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide

2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107734828) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107734828
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)CC1(N)CCC1)c1cccc(O)c1
InChIInChI=1S/C13H18N2O2/c1-15(10-4-2-5-11(16)8-10)12(17)9-13(14)6-3-7-13/h2,4-5,8,16H,3,6-7,9,14H2,1H3
InChIKeyASHBRJJPIINXMX-UHFFFAOYSA-N
XLogP1.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclohexyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734975
2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
CID 79854733
2-(1-aminocyclopentyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106935018
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934997
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
3-amino-N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107734648
2-(cyclopentylamino)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734715
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-(3-hydroxyphenyl)-N,4-dimethylpentanamide
CID 107735895

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107734828) is 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)CC1(N)CCC1)c1cccc(O)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is ASHBRJJPIINXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-4-2-5-11(16)8-10)12(17)9-13(14)6-3-7-13/h2,4-5,8,16H,3,6-7,9,14H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 107734828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).