3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

C18H25NO2 — CID 102914294

IUPAC3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(C(C)C)C(C)C)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-11(2)15(12(3)4)10-19-18(20)17-13(5)14-8-6-7-9-16(14)21-17/h6-9,11-12,15H,10H2,1-5H3,(H,19,20)
InChIKeyKPHVLBRATLNADU-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.40
Rot. Bonds5

About 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 102914294) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
PubChem CID102914294
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(C(C)C)C(C)C)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-11(2)15(12(3)4)10-19-18(20)17-13(5)14-8-6-7-9-16(14)21-17/h6-9,11-12,15H,10H2,1-5H3,(H,19,20)
InChIKeyKPHVLBRATLNADU-UHFFFAOYSA-N
XLogP4.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-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

Related Compounds

3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methyl-1-benzofuran-2-carboxamide
CID 109381086
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (CID 102914294) is 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(C(C)C)C(C)C)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is KPHVLBRATLNADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11(2)15(12(3)4)10-19-18(20)17-13(5)14-8-6-7-9-16(14)21-17/h6-9,11-12,15H,10H2,1-5H3,(H,19,20).
What are the key properties of 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102914294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).