[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

C38H50N2O4 — CID 54265170

IUPAC[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3C4CC(COC(=O)NC(C)(C)c5ccc(C(=C)C)cc5)C(C4)C3C2)cc1
InChIInChI=1S/C38H50N2O4/c1-23(2)26-9-13-30(14-10-26)37(5,6)39-35(41)43-21-25-17-32-28-19-29(33(20-28)34(32)18-25)22-44-36(42)40-38(7,8)31-15-11-27(12-16-31)24(3)4/h9-16,25,28-29,32-34H,1,3,17-22H2,2,4-8H3,(H,39,41)(H,40,42)
InChIKeyRGFYYHPQKIVONC-UHFFFAOYSA-N
MW598.83 g/mol
LogP8.67
Rot. Bonds10

About [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 54265170) has the molecular formula C38H50N2O4 and a molecular weight of 598.83 g/mol. Its IUPAC name is [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
PubChem CID54265170
Molecular FormulaC38H50N2O4
Molecular Weight598.83 g/mol
Exact Mass598.38
IUPAC Name[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3C4CC(COC(=O)NC(C)(C)c5ccc(C(=C)C)cc5)C(C4)C3C2)cc1
InChIInChI=1S/C38H50N2O4/c1-23(2)26-9-13-30(14-10-26)37(5,6)39-35(41)43-21-25-17-32-28-19-29(33(20-28)34(32)18-25)22-44-36(42)40-38(7,8)31-15-11-27(12-16-31)24(3)4/h9-16,25,28-29,32-34H,1,3,17-22H2,2,4-8H3,(H,39,41)(H,40,42)
InChIKeyRGFYYHPQKIVONC-UHFFFAOYSA-N
XLogP8.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The IUPAC name of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 54265170) is [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The canonical SMILES for [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3C4CC(COC(=O)NC(C)(C)c5ccc(C(=C)C)cc5)C(C4)C3C2)cc1.
What is the InChIKey of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is RGFYYHPQKIVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N2O4/c1-23(2)26-9-13-30(14-10-26)37(5,6)39-35(41)43-21-25-17-32-28-19-29(33(20-28)34(32)18-25)22-44-36(42)40-38(7,8)31-15-11-27(12-16-31)24(3)4/h9-16,25,28-29,32-34H,1,3,17-22H2,2,4-8H3,(H,39,41)(H,40,42).
What are the key properties of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 598.83 g/mol, XLogP of 8.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 54265170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).