N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide

C16H20N2O3 — CID 2552428

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-4-18(10-15(19)17-11(2)3)16(20)14-9-12-7-5-6-8-13(12)21-14/h5-9,11H,4,10H2,1-3H3,(H,17,19)
InChIKeyFNQVBUDREHYZCX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 2552428) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID2552428
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-4-18(10-15(19)17-11(2)3)16(20)14-9-12-7-5-6-8-13(12)21-14/h5-9,11H,4,10H2,1-3H3,(H,17,19)
InChIKeyFNQVBUDREHYZCX-UHFFFAOYSA-N
XLogP2.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
(2R)-6-amino-2-[[2-[1-benzofuran-2-carbonyl(carboxymethyl)amino]acetyl]amino]hexanoic acid
CID 10222936
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692963
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 24529352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide (CID 2552428) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FNQVBUDREHYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-18(10-15(19)17-11(2)3)16(20)14-9-12-7-5-6-8-13(12)21-14/h5-9,11H,4,10H2,1-3H3,(H,17,19).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2552428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).