2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide

C21H17N3O3 — CID 66834324

IUPAC2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide
SMILESCC1(C)c2cc(OCC(N)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C21H17N3O3/c1-21(2)15-8-12(27-10-17(23)25)4-6-13(15)19(26)18-14-5-3-11(9-22)7-16(14)24-20(18)21/h3-8,24H,10H2,1-2H3,(H2,23,25)
InChIKeyMETUHGKGBJAKIH-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.77
Rot. Bonds3

About 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide

2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide (PubChem CID 66834324) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide
PubChem CID66834324
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide
SMILESCC1(C)c2cc(OCC(N)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C21H17N3O3/c1-21(2)15-8-12(27-10-17(23)25)4-6-13(15)19(26)18-14-5-3-11(9-22)7-16(14)24-20(18)21/h3-8,24H,10H2,1-2H3,(H2,23,25)
InChIKeyMETUHGKGBJAKIH-UHFFFAOYSA-N
XLogP2.77
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide?
The IUPAC name of 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide (CID 66834324) is 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide.
What is the SMILES notation for 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide?
The canonical SMILES for 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide is CC1(C)c2cc(OCC(N)=O)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide?
The InChIKey is METUHGKGBJAKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-21(2)15-8-12(27-10-17(23)25)4-6-13(15)19(26)18-14-5-3-11(9-22)7-16(14)24-20(18)21/h3-8,24H,10H2,1-2H3,(H2,23,25).
What are the key properties of 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide?
2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetamide is sourced from PubChem (CID 66834324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).