2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide

C15H20N2O3 — CID 115878692

IUPAC2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(19)16-13-5-3-12(4-6-13)9-14(20)17-15(10-18)7-2-8-15/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVIQDVHUDHLCHLI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide

2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide (PubChem CID 115878692) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
PubChem CID115878692
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC2(CO)CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11(19)16-13-5-3-12(4-6-13)9-14(20)17-15(10-18)7-2-8-15/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyVIQDVHUDHLCHLI-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
3-acetamido-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878572
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
N-[1-(hydroxymethyl)cyclopentyl]-4-(pentanoylamino)benzamide
CID 50952378

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide (CID 115878692) is 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC2(CO)CCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide?
The InChIKey is VIQDVHUDHLCHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(19)16-13-5-3-12(4-6-13)9-14(20)17-15(10-18)7-2-8-15/h3-6,18H,2,7-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide?
2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide is sourced from PubChem (CID 115878692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).