N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide

C12H13NO3 — CID 115175685

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO3/c1-8(14)12(15)13-7-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyIFCODEUNMSCURF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide (PubChem CID 115175685) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
PubChem CID115175685
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO3/c1-8(14)12(15)13-7-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyIFCODEUNMSCURF-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide (CID 115175685) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide is CC(=O)C(=O)NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide?
The InChIKey is IFCODEUNMSCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)12(15)13-7-9-2-3-11-10(6-9)4-5-16-11/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide has a molecular weight of 219.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide is sourced from PubChem (CID 115175685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).