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

C24H26N2O5 — CID 167193500

IUPAC2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
SMILESCC1(C)c2cc(OCC(=O)NCCNCCO)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C24H26N2O5/c1-24(2)18-13-15(30-14-20(28)26-10-9-25-11-12-27)7-8-16(18)22(29)21-17-5-3-4-6-19(17)31-23(21)24/h3-8,13,25,27H,9-12,14H2,1-2H3,(H,26,28)
InChIKeyTWRHVLXGEODMNW-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.38
Rot. Bonds8

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

2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide (PubChem CID 167193500) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
PubChem CID167193500
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
SMILESCC1(C)c2cc(OCC(=O)NCCNCCO)ccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C24H26N2O5/c1-24(2)18-13-15(30-14-20(28)26-10-9-25-11-12-27)7-8-16(18)22(29)21-17-5-3-4-6-19(17)31-23(21)24/h3-8,13,25,27H,9-12,14H2,1-2H3,(H,26,28)
InChIKeyTWRHVLXGEODMNW-UHFFFAOYSA-N
XLogP2.38
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
CID 67127765
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
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
2-[8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]oxy-N-phenylacetamide
CID 121231527
(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl) trifluoromethanesulfonate
CID 86663832
8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66834956
6,6-dimethyl-3-propan-2-yloxy-8-(2,3,4-trihydroxybutoxy)naphtho[3,2-b][1]benzofuran-11-one
CID 77194229
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
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
8-[(2S)-2-hydroxy-2-(hydroxymethoxy)ethoxy]-3-(3-hydroxypropoxy)-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 167193030

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-(2-hydroxyethylamino)ethyl]acetamide?
The IUPAC name of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide (CID 167193500) is 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide?
The canonical SMILES for 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide is CC1(C)c2cc(OCC(=O)NCCNCCO)ccc2C(=O)c2c1oc1ccccc21.
What is the InChIKey of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide?
The InChIKey is TWRHVLXGEODMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-24(2)18-13-15(30-14-20(28)26-10-9-25-11-12-27)7-8-16(18)22(29)21-17-5-3-4-6-19(17)31-23(21)24/h3-8,13,25,27H,9-12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide?
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide has a molecular weight of 422.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-(2-hydroxyethylamino)ethyl]acetamide is sourced from PubChem (CID 167193500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).