N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

C16H22N2O4 — CID 87000720

IUPACN-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H22N2O4/c1-5-17-12(20)8-18-15(21)14-9(2)13-10(19)6-16(3,4)7-11(13)22-14/h5-8H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyOKNIRJRRPDFURZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 87000720) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID87000720
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H22N2O4/c1-5-17-12(20)8-18-15(21)14-9(2)13-10(19)6-16(3,4)7-11(13)22-14/h5-8H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyOKNIRJRRPDFURZ-UHFFFAOYSA-N
XLogP1.61
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

STAT3 inhibitor 8q
CID 137321152
2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 164628635
3,6,6-trimethyl-2-[(4-methyl-1-piperazinyl)carbonyl]-6,7-dihydro-1-benzofuran-4(5H)-one
CID 972346
N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 155512557
4,9-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[f][1]benzofuran-2-carboxamide
CID 155564357
N-ethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 972463
3,6,6-trimethyl-2-(4-morpholinylcarbonyl)-6,7-dihydro-1-benzofuran-4(5H)-one
CID 973170
N-benzyl-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 3244379
2-[(4-benzylpiperazin-1-yl)carbonyl]-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 4908585
N-(4,4-dimethylcyclohexyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
CID 155538386
N-cyclohexyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 972762

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide (CID 87000720) is N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is CCNC(=O)CNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OKNIRJRRPDFURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-5-17-12(20)8-18-15(21)14-9(2)13-10(19)6-16(3,4)7-11(13)22-14/h5-8H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87000720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).