N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide

C14H17NO2 — CID 48980635

IUPACN-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC(C)(C)C)oc12
InChIInChI=1S/C14H17NO2/c1-9-6-5-7-10-8-11(17-12(9)10)13(16)15-14(2,3)4/h5-8H,1-4H3,(H,15,16)
InChIKeyYQFWALMHFSOPTF-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.27
Rot. Bonds1

About N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide

N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 48980635) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
PubChem CID48980635
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NC(C)(C)C)oc12
InChIInChI=1S/C14H17NO2/c1-9-6-5-7-10-8-11(17-12(9)10)13(16)15-14(2,3)4/h5-8H,1-4H3,(H,15,16)
InChIKeyYQFWALMHFSOPTF-UHFFFAOYSA-N
XLogP3.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-7-methyl-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

1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 100795319
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
N-[(1S)-1-(4-methoxyphenyl)ethyl]-7-methyl-1-benzofuran-2-carboxamide
CID 100795374
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
2-methyl-2-[methyl-(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119200468
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide (CID 48980635) is N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide is Cc1cccc2cc(C(=O)NC(C)(C)C)oc12.
What is the InChIKey of N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YQFWALMHFSOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-6-5-7-10-8-11(17-12(9)10)13(16)15-14(2,3)4/h5-8H,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide?
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 48980635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).