N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide

C25H29N3O3 — CID 118670165

IUPACN-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(NC=O)ccc3c1C2=O
InChIInChI=1S/C25H29N3O3/c1-5-28(6-2)11-12-31-17-8-10-18-20(14-17)25(3,4)24-22(23(18)30)19-9-7-16(26-15-29)13-21(19)27-24/h7-10,13-15,27H,5-6,11-12H2,1-4H3,(H,26,29)
InChIKeyXQKUJTPONOQBDI-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.33
Rot. Bonds8

About N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide

N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide (PubChem CID 118670165) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide.

Molecular Properties

Compound NameN-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide
PubChem CID118670165
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide
SMILESCCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(NC=O)ccc3c1C2=O
InChIInChI=1S/C25H29N3O3/c1-5-28(6-2)11-12-31-17-8-10-18-20(14-17)25(3,4)24-22(23(18)30)19-9-7-16(26-15-29)13-21(19)27-24/h7-10,13-15,27H,5-6,11-12H2,1-4H3,(H,26,29)
InChIKeyXQKUJTPONOQBDI-UHFFFAOYSA-N
XLogP4.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67127731
8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
8-[2-(butan-2-ylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834283
N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide
CID 54586751
ethyl 2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetate
CID 70194810
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]carbamate
CID 70195542
6,6-dimethyl-11-oxo-8-[2-(pentan-2-ylamino)ethoxy]-5H-benzo[b]carbazole-3-carbonitrile
CID 134375405
8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835239
9-[2-(diethylamino)ethylsulfonyl]-8-methoxy-6,6-dimethyl-3-(methylamino)-5H-benzo[b]carbazol-11-one
CID 134375944
[8-(3-hydroxypropoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl] N-phenylcarbamate
CID 167193025
8-[2-(diethylamino)ethoxy]-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
CID 54587775
3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 66834694

Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide?
The IUPAC name of N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide (CID 118670165) is N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide.
What is the SMILES notation for N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide?
The canonical SMILES for N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide is CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(NC=O)ccc3c1C2=O.
What is the InChIKey of N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide?
The InChIKey is XQKUJTPONOQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-5-28(6-2)11-12-31-17-8-10-18-20(14-17)25(3,4)24-22(23(18)30)19-9-7-16(26-15-29)13-21(19)27-24/h7-10,13-15,27H,5-6,11-12H2,1-4H3,(H,26,29).
What are the key properties of N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide?
N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide has a molecular weight of 419.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide is sourced from PubChem (CID 118670165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).