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

C15H22N2O2 — CID 81484647

IUPACN-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H22N2O2/c1-3-15(16,4-2)10-17-14(18)11-5-6-12-8-19-9-13(12)7-11/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyILATZIWVFLDTID-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds5

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

N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 81484647) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID81484647
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H22N2O2/c1-3-15(16,4-2)10-17-14(18)11-5-6-12-8-19-9-13(12)7-11/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18)
InChIKeyILATZIWVFLDTID-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 81484647) is N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCC(N)(CC)CNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is ILATZIWVFLDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(16,4-2)10-17-14(18)11-5-6-12-8-19-9-13(12)7-11/h5-7H,3-4,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 81484647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).