N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C14H20N2O2 — CID 65191054

IUPACN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)C(CN)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-9(2)12(8-15)16-14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyAANJJXUJVMTCMI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 65191054) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID65191054
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)C(CN)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-9(2)12(8-15)16-14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyAANJJXUJVMTCMI-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 77039359
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106737365
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 65191054) is N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC(C)C(CN)NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is AANJJXUJVMTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)12(8-15)16-14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 65191054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).