5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide

C17H22N2O4 — CID 8820536

IUPAC5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)CC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C17H22N2O4/c1-10(2)18-15(20)9-19(4)17(21)16-11(3)13-8-12(22-5)6-7-14(13)23-16/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeyGAGAUGBFYCHVCH-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.35
Rot. Bonds5

About 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide

5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 8820536) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID8820536
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)CC(=O)NC(C)C)c(C)c2c1
InChIInChI=1S/C17H22N2O4/c1-10(2)18-15(20)9-19(4)17(21)16-11(3)13-8-12(22-5)6-7-14(13)23-16/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeyGAGAUGBFYCHVCH-UHFFFAOYSA-N
XLogP2.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 51597039
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8960631
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 52895585
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211405
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide (CID 8820536) is 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N(C)CC(=O)NC(C)C)c(C)c2c1.
What is the InChIKey of 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is GAGAUGBFYCHVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10(2)18-15(20)9-19(4)17(21)16-11(3)13-8-12(22-5)6-7-14(13)23-16/h6-8,10H,9H2,1-5H3,(H,18,20).
What are the key properties of 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide?
5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8820536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).