7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide

C20H23NO — CID 54464525

IUPAC7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide
SMILESCC1(C)CCc2ccc(C(=O)Nc3ccccc3)cc2CC1
InChIInChI=1S/C20H23NO/c1-20(2)12-10-15-8-9-17(14-16(15)11-13-20)19(22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,22)
InChIKeyXDXMINXOSHAKTO-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.84
Rot. Bonds2

About 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide

7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide (PubChem CID 54464525) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide
PubChem CID54464525
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide
SMILESCC1(C)CCc2ccc(C(=O)Nc3ccccc3)cc2CC1
InChIInChI=1S/C20H23NO/c1-20(2)12-10-15-8-9-17(14-16(15)11-13-20)19(22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,22)
InChIKeyXDXMINXOSHAKTO-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide?
The IUPAC name of 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide (CID 54464525) is 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide is CC1(C)CCc2ccc(C(=O)Nc3ccccc3)cc2CC1.
What is the InChIKey of 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide?
The InChIKey is XDXMINXOSHAKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-20(2)12-10-15-8-9-17(14-16(15)11-13-20)19(22)21-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,22).
What are the key properties of 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide?
7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-phenyl-5,6,8,9-tetrahydrobenzo[7]annulene-3-carboxamide is sourced from PubChem (CID 54464525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).