2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate

C25H36N2O8 — CID 155136508

IUPAC2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCC1CC2C3CC(CNC(=O)OCCOC(=O)C=C)C(C3)C2C1
InChIInChI=1S/C25H36N2O8/c1-3-22(28)32-7-9-34-24(30)26-6-5-16-11-19-17-13-18(20(14-17)21(19)12-16)15-27-25(31)35-10-8-33-23(29)4-2/h3-4,16-21H,1-2,5-15H2,(H,26,30)(H,27,31)
InChIKeyQIPXOJXXUOTPMI-UHFFFAOYSA-N
MW492.57 g/mol
LogP2.59
Rot. Bonds13

About 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate

2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate (PubChem CID 155136508) has the molecular formula C25H36N2O8 and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate
PubChem CID155136508
Molecular FormulaC25H36N2O8
Molecular Weight492.57 g/mol
Exact Mass492.25
IUPAC Name2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCC1CC2C3CC(CNC(=O)OCCOC(=O)C=C)C(C3)C2C1
InChIInChI=1S/C25H36N2O8/c1-3-22(28)32-7-9-34-24(30)26-6-5-16-11-19-17-13-18(20(14-17)21(19)12-16)15-27-25(31)35-10-8-33-23(29)4-2/h3-4,16-21H,1-2,5-15H2,(H,26,30)(H,27,31)
InChIKeyQIPXOJXXUOTPMI-UHFFFAOYSA-N
XLogP2.59
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[5-[[2-(2-prop-2-enoyloxyethoxy)ethoxycarbonylamino]methyl]-2-bicyclo[2.2.1]heptanyl]ethylcarbamoyloxy]ethoxy]ethyl prop-2-enoate
CID 145163136
4-[[2-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-7-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129294107
4-[[7-[(4-prop-2-enoyloxybutoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 129276706
[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 54552642
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
2-(8-bicyclo[3.2.1]octanylmethylcarbamoyloxy)ethyl prop-2-enoate
CID 139363624
4-[[3-[(2-acetyloxyethoxycarbonylamino)methyl]cyclohexyl]methylcarbamoyloxy]butyl prop-2-enoate
CID 134238587
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate (CID 155136508) is 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCCC1CC2C3CC(CNC(=O)OCCOC(=O)C=C)C(C3)C2C1.
What is the InChIKey of 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate?
The InChIKey is QIPXOJXXUOTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O8/c1-3-22(28)32-7-9-34-24(30)26-6-5-16-11-19-17-13-18(20(14-17)21(19)12-16)15-27-25(31)35-10-8-33-23(29)4-2/h3-4,16-21H,1-2,5-15H2,(H,26,30)(H,27,31).
What are the key properties of 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate?
2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate has a molecular weight of 492.57 g/mol, XLogP of 2.59, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[8-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]ethylcarbamoyloxy]ethyl prop-2-enoate is sourced from PubChem (CID 155136508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).