N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide

C18H26N2O2 — CID 119600294

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)oc2c(C)cccc12
InChIInChI=1S/C18H26N2O2/c1-11(2)9-18(5,10-19)20-17(21)16-13(4)14-8-6-7-12(3)15(14)22-16/h6-8,11H,9-10,19H2,1-5H3,(H,20,21)
InChIKeyUATYDVUAROYLBA-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.54
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 119600294) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide
PubChem CID119600294
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)oc2c(C)cccc12
InChIInChI=1S/C18H26N2O2/c1-11(2)9-18(5,10-19)20-17(21)16-13(4)14-8-6-7-12(3)15(14)22-16/h6-8,11H,9-10,19H2,1-5H3,(H,20,21)
InChIKeyUATYDVUAROYLBA-UHFFFAOYSA-N
XLogP3.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide (CID 119600294) is N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)(CN)CC(C)C)oc2c(C)cccc12.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is UATYDVUAROYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11(2)9-18(5,10-19)20-17(21)16-13(4)14-8-6-7-12(3)15(14)22-16/h6-8,11H,9-10,19H2,1-5H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3,7-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119600294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).