5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

C17H28N2O2 — CID 82013757

IUPAC5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCC(C)CN
InChIInChI=1S/C17H28N2O2/c1-11(10-18)5-6-16(20)19-14-8-17(3,4)9-15-13(14)7-12(2)21-15/h7,11,14H,5-6,8-10,18H2,1-4H3,(H,19,20)
InChIKeyLVNMXDNZUBLQTE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.09
Rot. Bonds5

About 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (PubChem CID 82013757) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
PubChem CID82013757
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCC(C)CN
InChIInChI=1S/C17H28N2O2/c1-11(10-18)5-6-16(20)19-14-8-17(3,4)9-15-13(14)7-12(2)21-15/h7,11,14H,5-6,8-10,18H2,1-4H3,(H,19,20)
InChIKeyLVNMXDNZUBLQTE-UHFFFAOYSA-N
XLogP3.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (CID 82013757) is 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The InChIKey is LVNMXDNZUBLQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(10-18)5-6-16(20)19-14-8-17(3,4)9-15-13(14)7-12(2)21-15/h7,11,14H,5-6,8-10,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is sourced from PubChem (CID 82013757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).