N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide

C15H20N2O2 — CID 81485679

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,9-16)17-14(18)13-8-11-6-4-5-7-12(11)19-13/h4-8,10H,9,16H2,1-3H3,(H,17,18)
InChIKeyHSNPYHRWTIXIJO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 81485679) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID81485679
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,9-16)17-14(18)13-8-11-6-4-5-7-12(11)19-13/h4-8,10H,9,16H2,1-3H3,(H,17,18)
InChIKeyHSNPYHRWTIXIJO-UHFFFAOYSA-N
XLogP2.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119605826
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 115869996
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
CID 119606849
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 81485679) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide is CC(C)C(C)(CN)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is HSNPYHRWTIXIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)15(3,9-16)17-14(18)13-8-11-6-4-5-7-12(11)19-13/h4-8,10H,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 81485679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).