5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 61092001

IUPAC5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-4-14(2,3)16-13(17)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeyGBTWIBKZSHACPI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.93
Rot. Bonds3

About 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 61092001) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID61092001
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-4-14(2,3)16-13(17)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeyGBTWIBKZSHACPI-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 115869996
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
4-methyl-4-[(5-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 62043103
2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-2-methylbutanoic acid
CID 119198892
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 61092001) is 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is CCC(C)(C)NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is GBTWIBKZSHACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-14(2,3)16-13(17)12-8-9-7-10(15)5-6-11(9)18-12/h5-8H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61092001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).