6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C26H27NO — CID 135529812

IUPAC6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESC/C(=N\[C@@H](C)c1ccccc1)c1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C26H27NO/c1-18(22-6-4-3-5-7-22)27-19(2)25-23-14-12-20-8-10-21(11-9-20)13-15-24(17-16-23)26(25)28/h3-11,16-18,28H,12-15H2,1-2H3/b27-19+/t18-/m0/s1
InChIKeySJAPKZSNWWIRHP-GICFLYKWSA-N
MW369.51 g/mol
LogP5.85
Rot. Bonds3

About 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 135529812) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID135529812
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESC/C(=N\[C@@H](C)c1ccccc1)c1c2ccc(c1O)CCc1ccc(cc1)CC2
InChIInChI=1S/C26H27NO/c1-18(22-6-4-3-5-7-22)27-19(2)25-23-14-12-20-8-10-21(11-9-20)13-15-24(17-16-23)26(25)28/h3-11,16-18,28H,12-15H2,1-2H3/b27-19+/t18-/m0/s1
InChIKeySJAPKZSNWWIRHP-GICFLYKWSA-N
XLogP5.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 135529812) is 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is C/C(=N\[C@@H](C)c1ccccc1)c1c2ccc(c1O)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is SJAPKZSNWWIRHP-GICFLYKWSA-N. The full InChI is InChI=1S/C26H27NO/c1-18(22-6-4-3-5-7-22)27-19(2)25-23-14-12-20-8-10-21(11-9-20)13-15-24(17-16-23)26(25)28/h3-11,16-18,28H,12-15H2,1-2H3/b27-19+/t18-/m0/s1.
What are the key properties of 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 369.51 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 135529812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).