5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

C17H24N2O2 — CID 102903170

IUPAC5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C17H24N2O2/c1-10(2)14(11(3)4)9-19-17(20)16-8-12-7-13(18)5-6-15(12)21-16/h5-8,10-11,14H,9,18H2,1-4H3,(H,19,20)
InChIKeyMTJWKKDZMWVHAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.67
Rot. Bonds5

About 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 102903170) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
PubChem CID102903170
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C17H24N2O2/c1-10(2)14(11(3)4)9-19-17(20)16-8-12-7-13(18)5-6-15(12)21-16/h5-8,10-11,14H,9,18H2,1-4H3,(H,19,20)
InChIKeyMTJWKKDZMWVHAP-UHFFFAOYSA-N
XLogP3.67
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.67
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-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
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
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
CID 102907539

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (CID 102903170) is 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is CC(C)C(CNC(=O)c1cc2cc(N)ccc2o1)C(C)C.
What is the InChIKey of 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is MTJWKKDZMWVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10(2)14(11(3)4)9-19-17(20)16-8-12-7-13(18)5-6-15(12)21-16/h5-8,10-11,14H,9,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102903170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).