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

C13H18N2O2 — CID 62667060

IUPACN-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(7-14)8-15-13(16)11-2-3-12-10(6-11)4-5-17-12/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyTWXJMOYTOXIJGO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.95
Rot. Bonds4

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

N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 62667060) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID62667060
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(7-14)8-15-13(16)11-2-3-12-10(6-11)4-5-17-12/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyTWXJMOYTOXIJGO-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-[(E)-4-aminobut-2-enyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113414856
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 62667060) is N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC(CN)CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is TWXJMOYTOXIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(7-14)8-15-13(16)11-2-3-12-10(6-11)4-5-17-12/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 62667060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).