N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide

C16H16N2O2 — CID 115183377

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2coc3ccccc23)CCC1
InChIInChI=1S/C16H16N2O2/c17-11-16(7-3-8-16)15(19)18-9-6-12-10-20-14-5-2-1-4-13(12)14/h1-2,4-5,10H,3,6-9H2,(H,18,19)
InChIKeyADHVZSOGGZFWCZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide

N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide (PubChem CID 115183377) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
PubChem CID115183377
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCc2coc3ccccc23)CCC1
InChIInChI=1S/C16H16N2O2/c17-11-16(7-3-8-16)15(19)18-9-6-12-10-20-14-5-2-1-4-13(12)14/h1-2,4-5,10H,3,6-9H2,(H,18,19)
InChIKeyADHVZSOGGZFWCZ-UHFFFAOYSA-N
XLogP2.79
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
CID 115183237
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-cyano-N-(2-thiophen-2-ylethyl)cyclobutane-1-carboxamide
CID 78994707
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-cyano-N-[2-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115183365
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
CID 116929257
1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181711
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide (CID 115183377) is N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)NCCc2coc3ccccc23)CCC1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide?
The InChIKey is ADHVZSOGGZFWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-11-16(7-3-8-16)15(19)18-9-6-12-10-20-14-5-2-1-4-13(12)14/h1-2,4-5,10H,3,6-9H2,(H,18,19).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide?
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 115183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).