N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide

C88H112N6O7 — CID 160813809

About N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide

N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide (PubChem CID 160813809) has the molecular formula C88H112N6O7 and a molecular weight of 1365.90 g/mol. Its IUPAC name is N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide
• PubChem CID: 160813809
• Molecular Formula: C88H112N6O7
• Molecular Weight: 1365.90 g/mol
• Exact Mass: 1364.86
• IUPAC Name: N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)CCCCC3)cc1.COc1cc2c(cc1C(=O)Nc1cc(C)n(C(C)(C)C)n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2
• InChI: InChI=1S/C23H29NO2.C22H27NO2.C22H27NO.C21H29N3O2/c1-23(2,3)18-10-12-19(13-11-18)24-22(25)20-14-16-8-6-5-7-9-17(16)15-21(20)26-4;1-22(2,3)17-9-11-18(12-10-17)23-21(25)19-13-15-7-5-4-6-8-16(15)14-20(19)24;1-22(2,3)19-11-13-20(14-12-19)23-21(24)18-10-9-16-7-5-4-6-8-17(16)15-18;1-14-11-19(23-24(14)21(2,3)4)22-20(25)17-12-15-9-7-6-8-10-16(15)13-18(17)26-5/h10-15H,5-9H2,1-4H3,(H,24,25);9-14,24H,4-8H2,1-3H3,(H,23,25);9-15H,4-8H2,1-3H3,(H,23,24);11-13H,6-10H2,1-5H3,(H,22,23,25)
• InChIKey: SEQIMLNOBPQQLD-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 172.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.90
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide?

The IUPAC name of N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide (CID 160813809) is N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide.

What is the SMILES notation for N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide?

The canonical SMILES for N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)CCCCC3)cc1.COc1cc2c(cc1C(=O)Nc1cc(C)n(C(C)(C)C)n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.

What is the InChIKey of N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide?

The InChIKey is SEQIMLNOBPQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.C22H27NO2.C22H27NO.C21H29N3O2/c1-23(2,3)18-10-12-19(13-11-18)24-22(25)20-14-16-8-6-5-7-9-17(16)15-21(20)26-4;1-22(2,3)17-9-11-18(12-10-17)23-21(25)19-13-15-7-5-4-6-8-16(15)14-20(19)24;1-22(2,3)19-11-13-20(14-12-19)23-21(24)18-10-9-16-7-5-4-6-8-17(16)15-18;1-14-11-19(23-24(14)21(2,3)4)22-20(25)17-12-15-9-7-6-8-10-16(15)13-18(17)26-5/h10-15H,5-9H2,1-4H3,(H,24,25);9-14,24H,4-8H2,1-3H3,(H,23,25);9-15H,4-8H2,1-3H3,(H,23,24);11-13H,6-10H2,1-5H3,(H,22,23,25).

What are the key properties of N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide?

N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide has a molecular weight of 1365.90 g/mol, XLogP of 20.71, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide is sourced from PubChem (CID 160813809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).