N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide

C16H19NO2 — CID 1157517

IUPACN-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-13-9-5-6-10-14(13)19-15(11)16(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPKRYGPVXTYJRKR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.80
Rot. Bonds2

About N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide

N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 1157517) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID1157517
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)oc2ccccc12
InChIInChI=1S/C16H19NO2/c1-11-13-9-5-6-10-14(13)19-15(11)16(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPKRYGPVXTYJRKR-UHFFFAOYSA-N
XLogP3.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide (CID 1157517) is N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCCC2)oc2ccccc12.
What is the InChIKey of N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PKRYGPVXTYJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-13-9-5-6-10-14(13)19-15(11)16(18)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide?
N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1157517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).