3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide

C16H26N2O2 — CID 64683856

IUPAC3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CC(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-10-6-11-12(18-14(19)9-16(4,5)17)7-15(2,3)8-13(11)20-10/h6,12H,7-9,17H2,1-5H3,(H,18,19)
InChIKeyKUIKIHJFWDRXAP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide

3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide (PubChem CID 64683856) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
PubChem CID64683856
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CC(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-10-6-11-12(18-14(19)9-16(4,5)17)7-15(2,3)8-13(11)20-10/h6,12H,7-9,17H2,1-5H3,(H,18,19)
InChIKeyKUIKIHJFWDRXAP-UHFFFAOYSA-N
XLogP2.85
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide (CID 64683856) is 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide?
The InChIKey is KUIKIHJFWDRXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10-6-11-12(18-14(19)9-16(4,5)17)7-15(2,3)8-13(11)20-10/h6,12H,7-9,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide?
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide is sourced from PubChem (CID 64683856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).