2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide

C37H57NO3 — CID 141392648

IUPAC2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCCCCCc1c(cc(C(C)(C)C)c(O)c1C(C)(C)C)C2CC(N)=O
InChIInChI=1S/C37H57NO3/c1-34(2,3)27-19-24-22(30(32(27)40)36(7,8)9)17-15-13-14-16-18-23-25(26(24)21-29(38)39)20-28(35(4,5)6)33(41)31(23)37(10,11)12/h19-20,26,40-41H,13-18,21H2,1-12H3,(H2,38,39)
InChIKeyBSJUDRIQISXNSV-UHFFFAOYSA-N
MW563.87 g/mol
LogP8.95
Rot. Bonds2

About 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide

2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide (PubChem CID 141392648) has the molecular formula C37H57NO3 and a molecular weight of 563.87 g/mol. Its IUPAC name is 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide.

Molecular Properties

Compound Name2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide
PubChem CID141392648
Molecular FormulaC37H57NO3
Molecular Weight563.87 g/mol
Exact Mass563.43
IUPAC Name2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCCCCCc1c(cc(C(C)(C)C)c(O)c1C(C)(C)C)C2CC(N)=O
InChIInChI=1S/C37H57NO3/c1-34(2,3)27-19-24-22(30(32(27)40)36(7,8)9)17-15-13-14-16-18-23-25(26(24)21-29(38)39)20-28(35(4,5)6)33(41)31(23)37(10,11)12/h19-20,26,40-41H,13-18,21H2,1-12H3,(H2,38,39)
InChIKeyBSJUDRIQISXNSV-UHFFFAOYSA-N
XLogP8.95
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.87
LogP ≤ 58.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide with MolForge

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Related Compounds

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4-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,4-dimethylpentanamide
CID 44431950
6-[4-(3,5-dimethylphenyl)-3-hydroxyphenyl]-N,6-dimethylheptanamide
CID 44431952
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12-Hydroxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraen-3-One
CID 76317306
(4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 11623192
(4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 11700871
(4aR,10aS)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 15127170
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CID 101685145
2-(4-tert-Butyl-3-hydroxy-2,6-dimethylphenyl)acetamide
CID 20345950

Frequently Asked Questions

What is the IUPAC name of 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide?
The IUPAC name of 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide (CID 141392648) is 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide.
What is the SMILES notation for 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide?
The canonical SMILES for 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide is CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCCCCCc1c(cc(C(C)(C)C)c(O)c1C(C)(C)C)C2CC(N)=O.
What is the InChIKey of 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide?
The InChIKey is BSJUDRIQISXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57NO3/c1-34(2,3)27-19-24-22(30(32(27)40)36(7,8)9)17-15-13-14-16-18-23-25(26(24)21-29(38)39)20-28(35(4,5)6)33(41)31(23)37(10,11)12/h19-20,26,40-41H,13-18,21H2,1-12H3,(H2,38,39).
What are the key properties of 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide?
2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide has a molecular weight of 563.87 g/mol, XLogP of 8.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7,16,18-tetratert-butyl-6,17-dihydroxy-2-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaenyl)acetamide is sourced from PubChem (CID 141392648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).