5-amino-N-tert-butyl-1-benzofuran-2-carboxamide

C13H16N2O2 — CID 61092383

IUPAC5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyRPBMWDXKKNNCKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.54
Rot. Bonds1

About 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide

5-amino-N-tert-butyl-1-benzofuran-2-carboxamide (PubChem CID 61092383) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
PubChem CID61092383
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyRPBMWDXKKNNCKS-UHFFFAOYSA-N
XLogP2.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.54
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-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 61092001
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
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-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide (CID 61092383) is 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide is CC(C)(C)NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide?
The InChIKey is RPBMWDXKKNNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)15-12(16)11-7-8-6-9(14)4-5-10(8)17-11/h4-7H,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide?
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61092383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).