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

C13H18N2O2 — CID 63755903

IUPACN-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(CN)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c1-2-12(6-14)15-13(16)9-3-4-10-7-17-8-11(10)5-9/h3-5,12H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyYDSKCKMLKPRNPK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds4

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

N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63755903) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63755903
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(CN)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c1-2-12(6-14)15-13(16)9-3-4-10-7-17-8-11(10)5-9/h3-5,12H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyYDSKCKMLKPRNPK-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114078983
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
(2R)-2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoic acid
CID 80750468
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95050918

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63755903) is N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCC(CN)NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is YDSKCKMLKPRNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-12(6-14)15-13(16)9-3-4-10-7-17-8-11(10)5-9/h3-5,12H,2,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63755903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).