[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

C38H50N2O4 — CID 57107404

IUPAC[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3(COC(=O)NC(C)(C)c4cccc(C(=C)C)c4)CC2C2CCCC23)cc1
InChIInChI=1S/C38H50N2O4/c1-24(2)26-15-17-29(18-16-26)36(5,6)39-34(41)43-22-28-20-38(21-32(28)31-13-10-14-33(31)38)23-44-35(42)40-37(7,8)30-12-9-11-27(19-30)25(3)4/h9,11-12,15-19,28,31-33H,1,3,10,13-14,20-23H2,2,4-8H3,(H,39,41)(H,40,42)
InChIKeyPLYAPQQAKHXJPB-UHFFFAOYSA-N
MW598.83 g/mol
LogP8.82
Rot. Bonds10

About [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 57107404) 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]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
PubChem CID57107404
Molecular FormulaC38H50N2O4
Molecular Weight598.83 g/mol
Exact Mass598.38
IUPAC Name[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3(COC(=O)NC(C)(C)c4cccc(C(=C)C)c4)CC2C2CCCC23)cc1
InChIInChI=1S/C38H50N2O4/c1-24(2)26-15-17-29(18-16-26)36(5,6)39-34(41)43-22-28-20-38(21-32(28)31-13-10-14-33(31)38)23-44-35(42)40-37(7,8)30-12-9-11-27(19-30)25(3)4/h9,11-12,15-19,28,31-33H,1,3,10,13-14,20-23H2,2,4-8H3,(H,39,41)(H,40,42)
InChIKeyPLYAPQQAKHXJPB-UHFFFAOYSA-N
XLogP8.82
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 ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-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]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The IUPAC name of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 57107404) is [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-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]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The canonical SMILES for [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1ccc(C(C)(C)NC(=O)OCC2CC3(COC(=O)NC(C)(C)c4cccc(C(=C)C)c4)CC2C2CCCC23)cc1.
What is the InChIKey of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is PLYAPQQAKHXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N2O4/c1-24(2)26-15-17-29(18-16-26)36(5,6)39-34(41)43-22-28-20-38(21-32(28)31-13-10-14-33(31)38)23-44-35(42)40-37(7,8)30-12-9-11-27(19-30)25(3)4/h9,11-12,15-19,28,31-33H,1,3,10,13-14,20-23H2,2,4-8H3,(H,39,41)(H,40,42).
What are the key properties of [8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
[8-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 598.83 g/mol, XLogP of 8.82, 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]-1-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 57107404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).