N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

C18H25NO3 — CID 972762

IUPACN-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25NO3/c1-11-15-13(20)9-18(2,3)10-14(15)22-16(11)17(21)19-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,19,21)
InChIKeyMIHGOKMOEVVOMW-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.81
Rot. Bonds2

About N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 972762) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID972762
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H25NO3/c1-11-15-13(20)9-18(2,3)10-14(15)22-16(11)17(21)19-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,19,21)
InChIKeyMIHGOKMOEVVOMW-UHFFFAOYSA-N
XLogP3.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (CID 972762) is N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is MIHGOKMOEVVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11-15-13(20)9-18(2,3)10-14(15)22-16(11)17(21)19-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 972762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).