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

C13H17NO4 — CID 114078983

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOCC(CO)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO4/c1-17-8-12(5-15)14-13(16)9-2-3-10-6-18-7-11(10)4-9/h2-4,12,15H,5-8H2,1H3,(H,14,16)
InChIKeyLKKZXRKNYLNOAX-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.45
Rot. Bonds5

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

N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 114078983) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID114078983
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCOCC(CO)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H17NO4/c1-17-8-12(5-15)14-13(16)9-2-3-10-6-18-7-11(10)4-9/h2-4,12,15H,5-8H2,1H3,(H,14,16)
InChIKeyLKKZXRKNYLNOAX-UHFFFAOYSA-N
XLogP0.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
(2R)-2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoic acid
CID 80750468
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428
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-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 114078983) is N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is COCC(CO)NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is LKKZXRKNYLNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-8-12(5-15)14-13(16)9-2-3-10-6-18-7-11(10)4-9/h2-4,12,15H,5-8H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 114078983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).