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

C126H155N13O12 — CID 158404925

About 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 158404925) has the molecular formula C126H155N13O12 and a molecular weight of 2043.70 g/mol. Its IUPAC name is 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

• Compound Name: 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
• PubChem CID: 158404925
• Molecular Formula: C126H155N13O12
• Molecular Weight: 2043.70 g/mol
• Exact Mass: 2042.19
• IUPAC Name: 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)nc1.CCn1nc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1C.COc1cc2c(cc1C(=O)Nc1cc(-c3ccccc3)[nH]n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2
• InChI: InChI=1S/C23H29NO2.C22H23N3O2.C22H27NO2.C21H26N2O2.C20H27N3O2.C18H23N3O2/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;1-27-20-13-17-11-7-3-6-10-16(17)12-18(20)22(26)23-21-14-19(24-25-21)15-8-4-2-5-9-15;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;1-21(2,3)16-9-10-19(22-13-16)23-20(25)17-11-14-7-5-4-6-8-15(14)12-18(17)24;1-20(2,3)17-12-18(23-22-17)21-19(24)15-10-13-8-6-5-7-9-14(13)11-16(15)25-4;1-3-21-12(2)9-17(20-21)19-18(23)15-10-13-7-5-4-6-8-14(13)11-16(15)22/h10-15H,5-9H2,1-4H3,(H,24,25);2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H2,23,24,25,26);9-14,24H,4-8H2,1-3H3,(H,23,25);9-13,24H,4-8H2,1-3H3,(H,22,23,25);10-12H,5-9H2,1-4H3,(H2,21,22,23,24);9-11,22H,3-8H2,1-2H3,(H,19,20,23)
• InChIKey: GYOGZUPTCYMZIS-UHFFFAOYSA-N
• XLogP: 27.61
• TPSA: 351.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.70
LogP ≤ 5	27.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 158404925) is 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

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

The canonical SMILES for 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1.CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)nc1.CCn1nc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1C.COc1cc2c(cc1C(=O)Nc1cc(-c3ccccc3)[nH]n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.

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

The InChIKey is GYOGZUPTCYMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.C22H23N3O2.C22H27NO2.C21H26N2O2.C20H27N3O2.C18H23N3O2/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;1-27-20-13-17-11-7-3-6-10-16(17)12-18(20)22(26)23-21-14-19(24-25-21)15-8-4-2-5-9-15;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;1-21(2,3)16-9-10-19(22-13-16)23-20(25)17-11-14-7-5-4-6-8-15(14)12-18(17)24;1-20(2,3)17-12-18(23-22-17)21-19(24)15-10-13-8-6-5-7-9-14(13)11-16(15)25-4;1-3-21-12(2)9-17(20-21)19-18(23)15-10-13-7-5-4-6-8-14(13)11-16(15)22/h10-15H,5-9H2,1-4H3,(H,24,25);2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H2,23,24,25,26);9-14,24H,4-8H2,1-3H3,(H,23,25);9-13,24H,4-8H2,1-3H3,(H,22,23,25);10-12H,5-9H2,1-4H3,(H2,21,22,23,24);9-11,22H,3-8H2,1-2H3,(H,19,20,23).

What are the key properties of 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide has a molecular weight of 2043.70 g/mol, XLogP of 27.61, 17 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 158404925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).