1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide

C27H43NO2 — CID 10501898

IUPAC1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide
SMILESCCCCCCCCCCC1(C(=O)Nc2c(C)ccc3c2OC(C)(C)C3)CCCC1
InChIInChI=1S/C27H43NO2/c1-5-6-7-8-9-10-11-12-17-27(18-13-14-19-27)25(29)28-23-21(2)15-16-22-20-26(3,4)30-24(22)23/h15-16H,5-14,17-20H2,1-4H3,(H,28,29)
InChIKeyPNUYJSCEMRPUDP-UHFFFAOYSA-N
MW413.65 g/mol
LogP7.74
Rot. Bonds11

About 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide

1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide (PubChem CID 10501898) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide
PubChem CID10501898
Molecular FormulaC27H43NO2
Molecular Weight413.65 g/mol
Exact Mass413.33
IUPAC Name1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide
SMILESCCCCCCCCCCC1(C(=O)Nc2c(C)ccc3c2OC(C)(C)C3)CCCC1
InChIInChI=1S/C27H43NO2/c1-5-6-7-8-9-10-11-12-17-27(18-13-14-19-27)25(29)28-23-21(2)15-16-22-20-26(3,4)30-24(22)23/h15-16H,5-14,17-20H2,1-4H3,(H,28,29)
InChIKeyPNUYJSCEMRPUDP-UHFFFAOYSA-N
XLogP7.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide (CID 10501898) is 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide is CCCCCCCCCCC1(C(=O)Nc2c(C)ccc3c2OC(C)(C)C3)CCCC1.
What is the InChIKey of 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide?
The InChIKey is PNUYJSCEMRPUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO2/c1-5-6-7-8-9-10-11-12-17-27(18-13-14-19-27)25(29)28-23-21(2)15-16-22-20-26(3,4)30-24(22)23/h15-16H,5-14,17-20H2,1-4H3,(H,28,29).
What are the key properties of 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide?
1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide has a molecular weight of 413.65 g/mol, XLogP of 7.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10501898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).