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

C13H18N2O2 — CID 63732267

IUPACN-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c1-9(5-14)6-15-13(16)10-2-3-11-7-17-8-12(11)4-10/h2-4,9H,5-8,14H2,1H3,(H,15,16)
InChIKeyNVXRCMNXMYDSBS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds4

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

N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63732267) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63732267
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c1-9(5-14)6-15-13(16)10-2-3-11-7-17-8-12(11)4-10/h2-4,9H,5-8,14H2,1H3,(H,15,16)
InChIKeyNVXRCMNXMYDSBS-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
N-[(2S)-2-anilino-3-methylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95055102
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948
N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63732267) is N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CC(CN)CNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is NVXRCMNXMYDSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(5-14)6-15-13(16)10-2-3-11-7-17-8-12(11)4-10/h2-4,9H,5-8,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.04, 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)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63732267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).