4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide

C21H24N2O2 — CID 90654664

IUPAC4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide
SMILESCC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)cc4)c2C1)CCCC3
InChIInChI=1S/C21H24N2O2/c1-21(2)11-17-19(18(24)12-21)15-5-3-4-6-16(15)23(17)14-9-7-13(8-10-14)20(22)25/h7-10H,3-6,11-12H2,1-2H3,(H2,22,25)
InChIKeyDDLFNBQRUWNLSN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.61
Rot. Bonds2

About 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide

4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide (PubChem CID 90654664) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide.

Molecular Properties

Compound Name4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide
PubChem CID90654664
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide
SMILESCC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)cc4)c2C1)CCCC3
InChIInChI=1S/C21H24N2O2/c1-21(2)11-17-19(18(24)12-21)15-5-3-4-6-16(15)23(17)14-9-7-13(8-10-14)20(22)25/h7-10H,3-6,11-12H2,1-2H3,(H2,22,25)
InChIKeyDDLFNBQRUWNLSN-UHFFFAOYSA-N
XLogP3.61
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide?
The IUPAC name of 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide (CID 90654664) is 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide.
What is the SMILES notation for 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide?
The canonical SMILES for 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide is CC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)cc4)c2C1)CCCC3.
What is the InChIKey of 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide?
The InChIKey is DDLFNBQRUWNLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2)11-17-19(18(24)12-21)15-5-3-4-6-16(15)23(17)14-9-7-13(8-10-14)20(22)25/h7-10H,3-6,11-12H2,1-2H3,(H2,22,25).
What are the key properties of 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide?
4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydrocarbazol-9-yl)benzamide is sourced from PubChem (CID 90654664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).