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

C37H48N2O4 — CID 59124408

IUPAC[8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)OCC2CC3C4CC(OC(=O)NC(C)(C)c5cccc(C(=C)C)c5)C(C4)C3C2)c1
InChIInChI=1S/C37H48N2O4/c1-22(2)25-11-9-13-28(17-25)36(5,6)38-34(40)42-21-24-15-30-27-19-32(31(30)16-24)33(20-27)43-35(41)39-37(7,8)29-14-10-12-26(18-29)23(3)4/h9-14,17-18,24,27,30-33H,1,3,15-16,19-21H2,2,4-8H3,(H,38,40)(H,39,41)
InChIKeyCUPYGBIGZMRDGK-UHFFFAOYSA-N
MW584.80 g/mol
LogP8.43
Rot. Bonds9

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

[8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 59124408) has the molecular formula C37H48N2O4 and a molecular weight of 584.80 g/mol. Its IUPAC name is [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
PubChem CID59124408
Molecular FormulaC37H48N2O4
Molecular Weight584.80 g/mol
Exact Mass584.36
IUPAC Name[8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)OCC2CC3C4CC(OC(=O)NC(C)(C)c5cccc(C(=C)C)c5)C(C4)C3C2)c1
InChIInChI=1S/C37H48N2O4/c1-22(2)25-11-9-13-28(17-25)36(5,6)38-34(40)42-21-24-15-30-27-19-32(31(30)16-24)33(20-27)43-35(41)39-37(7,8)29-14-10-12-26(18-29)23(3)4/h9-14,17-18,24,27,30-33H,1,3,15-16,19-21H2,2,4-8H3,(H,38,40)(H,39,41)
InChIKeyCUPYGBIGZMRDGK-UHFFFAOYSA-N
XLogP8.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.80
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 59124408) is [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1cccc(C(C)(C)NC(=O)OCC2CC3C4CC(OC(=O)NC(C)(C)c5cccc(C(=C)C)c5)C(C4)C3C2)c1.
What is the InChIKey of [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
The InChIKey is CUPYGBIGZMRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N2O4/c1-22(2)25-11-9-13-28(17-25)36(5,6)38-34(40)42-21-24-15-30-27-19-32(31(30)16-24)33(20-27)43-35(41)39-37(7,8)29-14-10-12-26(18-29)23(3)4/h9-14,17-18,24,27,30-33H,1,3,15-16,19-21H2,2,4-8H3,(H,38,40)(H,39,41).
What are the key properties of [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-tricyclo[5.2.1.02,6]decanyl]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?
[8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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 584.80 g/mol, XLogP of 8.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-4-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 59124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).