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

C12H13NO3 — CID 115175533

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO3/c1-8(14)12(15)13(2)10-3-4-11-9(7-10)5-6-16-11/h3-4,7H,5-6H2,1-2H3
InChIKeyUQOLCUBQJVQTCT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.17
Rot. Bonds2

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

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide (PubChem CID 115175533) 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-yl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
PubChem CID115175533
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H13NO3/c1-8(14)12(15)13(2)10-3-4-11-9(7-10)5-6-16-11/h3-4,7H,5-6H2,1-2H3
InChIKeyUQOLCUBQJVQTCT-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide (CID 115175533) is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide is CC(=O)C(=O)N(C)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide?
The InChIKey is UQOLCUBQJVQTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)12(15)13(2)10-3-4-11-9(7-10)5-6-16-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide has a molecular weight of 219.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).