4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide

C22H27NO — CID 140896281

IUPAC4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1
InChIInChI=1S/C22H27NO/c1-22(2,3)19-12-9-17(10-13-19)21(24)23-20-14-11-16-7-5-4-6-8-18(16)15-20/h9-15H,4-8H2,1-3H3,(H,23,24)
InChIKeyRCPFOEPYRNMHAM-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.51
Rot. Bonds2

About 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide

4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide (PubChem CID 140896281) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
PubChem CID140896281
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1
InChIInChI=1S/C22H27NO/c1-22(2,3)19-12-9-17(10-13-19)21(24)23-20-14-11-16-7-5-4-6-8-18(16)15-20/h9-15H,4-8H2,1-3H3,(H,23,24)
InChIKeyRCPFOEPYRNMHAM-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
4-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)phenyl]piperazin-1-yl]benzoic acid
CID 59318101
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
4-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide;ethyl acetate
CID 162027640
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide (CID 140896281) is 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1.
What is the InChIKey of 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide?
The InChIKey is RCPFOEPYRNMHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-22(2,3)19-12-9-17(10-13-19)21(24)23-20-14-11-16-7-5-4-6-8-18(16)15-20/h9-15H,4-8H2,1-3H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide?
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide has a molecular weight of 321.46 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide is sourced from PubChem (CID 140896281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).