5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide

C15H20N2O2 — CID 64571210

IUPAC5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-9(2)10(3)8-17-15(18)14-7-11-6-12(16)4-5-13(11)19-14/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyJBIWRELZWXNWTQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.04
Rot. Bonds4

About 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide

5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 64571210) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
PubChem CID64571210
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H20N2O2/c1-9(2)10(3)8-17-15(18)14-7-11-6-12(16)4-5-13(11)19-14/h4-7,9-10H,8,16H2,1-3H3,(H,17,18)
InChIKeyJBIWRELZWXNWTQ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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

5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide (CID 64571210) is 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide is CC(C)C(C)CNC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is JBIWRELZWXNWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)10(3)8-17-15(18)14-7-11-6-12(16)4-5-13(11)19-14/h4-7,9-10H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 64571210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).