5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide

C15H20N2O2 — CID 61469067

IUPAC5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-12(9(2)3)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,4,16H2,1-3H3,(H,17,18)
InChIKeyHBMJXVAIKMOYEN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.18
Rot. Bonds4

About 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide

5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 61469067) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID61469067
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
SMILESCCC(NC(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-12(9(2)3)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,4,16H2,1-3H3,(H,17,18)
InChIKeyHBMJXVAIKMOYEN-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 82946153
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106281010
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-amino-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide (CID 61469067) is 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide is CCC(NC(=O)c1cc2cc(N)ccc2o1)C(C)C.
What is the InChIKey of 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is HBMJXVAIKMOYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-12(9(2)3)17-15(18)14-8-10-7-11(16)5-6-13(10)19-14/h5-9,12H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.18, 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-methylpentan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61469067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).