2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide

C27H24N2O4 — CID 67127765

IUPAC2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC1(C)c2cc(OCC(=O)NCCc3ccncc3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C27H24N2O4/c1-27(2)21-15-18(32-16-23(30)29-14-11-17-9-12-28-13-10-17)7-8-19(21)25(31)24-20-5-3-4-6-22(20)33-26(24)27/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,29,30)
InChIKeyVCNNRBGXXCJDKM-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.44
Rot. Bonds6

About 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide

2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 67127765) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID67127765
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC1(C)c2cc(OCC(=O)NCCc3ccncc3)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C27H24N2O4/c1-27(2)21-15-18(32-16-23(30)29-14-11-17-9-12-28-13-10-17)7-8-19(21)25(31)24-20-5-3-4-6-22(20)33-26(24)27/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,29,30)
InChIKeyVCNNRBGXXCJDKM-UHFFFAOYSA-N
XLogP4.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
CID 167193500
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide
CID 66834686
4-[2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxyacetyl]piperazine-1-carboxylic acid
CID 140676091
(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl) trifluoromethanesulfonate
CID 86663832
2-[8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]oxy-N-phenylacetamide
CID 121231527
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66834956
2,2-dimethyl-5-(2,3,4-trihydroxybutoxy)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),4,6,11(16),12,14-heptaen-9-one
CID 77194215
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 112977719
3-amino-6,6-dimethyl-8-[(2R,3R)-2,3,4-trihydroxybutoxy]naphtho[3,2-b][1]benzofuran-11-one
CID 70194668
3-iodo-6,6-dimethyl-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 67150163

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide (CID 67127765) is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide is CC1(C)c2cc(OCC(=O)NCCc3ccncc3)ccc2C(=O)c2c1oc1ccccc21.
What is the InChIKey of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is VCNNRBGXXCJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-27(2)21-15-18(32-16-23(30)29-14-11-17-9-12-28-13-10-17)7-8-19(21)25(31)24-20-5-3-4-6-22(20)33-26(24)27/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,29,30).
What are the key properties of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide?
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 440.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 67127765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).