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

C113H145N7O8 — CID 161314180

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

N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide (PubChem CID 161314180) has the molecular formula C113H145N7O8 and a molecular weight of 1729.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide
• PubChem CID: 161314180
• Molecular Formula: C113H145N7O8
• Molecular Weight: 1729.44 g/mol
• Exact Mass: 1728.12
• IUPAC Name: N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CCOc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.CCc1cc2c(cc1C(=O)Nc1cc(C)n(CC)n1)CCCCC2.CCc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2
• InChI: InChI=1S/C24H31NO2.C24H31NO.C23H29NO2.C22H27NO2.C20H27N3O/c1-5-27-22-16-18-10-8-6-7-9-17(18)15-21(22)23(26)25-20-13-11-19(12-14-20)24(2,3)4;1-5-17-15-18-9-7-6-8-10-19(18)16-22(17)23(26)25-21-13-11-20(12-14-21)24(2,3)4;1-23(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;1-4-15-12-16-9-7-6-8-10-17(16)13-18(15)20(24)21-19-11-14(3)23(5-2)22-19/h11-16H,5-10H2,1-4H3,(H,25,26);11-16H,5-10H2,1-4H3,(H,25,26);10-15H,5-9H2,1-4H3,(H,24,25);9-14,24H,4-8H2,1-3H3,(H,23,25);11-13H,4-10H2,1-3H3,(H,21,22,24)
• InChIKey: VJGXNILXCSMMKQ-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 202.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.44
LogP ≤ 5	26.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide (CID 161314180) is N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide.

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

The canonical SMILES for N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CCOc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.CCc1cc2c(cc1C(=O)Nc1cc(C)n(CC)n1)CCCCC2.CCc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.

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

The InChIKey is VJGXNILXCSMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2.C24H31NO.C23H29NO2.C22H27NO2.C20H27N3O/c1-5-27-22-16-18-10-8-6-7-9-17(18)15-21(22)23(26)25-20-13-11-19(12-14-20)24(2,3)4;1-5-17-15-18-9-7-6-8-10-19(18)16-22(17)23(26)25-21-13-11-20(12-14-21)24(2,3)4;1-23(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;1-4-15-12-16-9-7-6-8-10-17(16)13-18(15)20(24)21-19-11-14(3)23(5-2)22-19/h11-16H,5-10H2,1-4H3,(H,25,26);11-16H,5-10H2,1-4H3,(H,25,26);10-15H,5-9H2,1-4H3,(H,24,25);9-14,24H,4-8H2,1-3H3,(H,23,25);11-13H,4-10H2,1-3H3,(H,21,22,24).

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

N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide has a molecular weight of 1729.44 g/mol, XLogP of 26.99, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-2-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-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;2-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxamide is sourced from PubChem (CID 161314180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).