methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)

C173H379N15O27 — CID 163832775

About methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)

methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate) (PubChem CID 163832775) has the molecular formula C173H379N15O27 and a molecular weight of 3102.01 g/mol. Its IUPAC name is methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate).

Molecular Properties

• Compound Name: methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)
• PubChem CID: 163832775
• Molecular Formula: C173H379N15O27
• Molecular Weight: 3102.01 g/mol
• Exact Mass: 3099.87
• IUPAC Name: methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCNC(=O)NCCCC(C)C.C=CC(=O)NCCNC(=O)NCCCC(C)C.C=CC(=O)OCC(=O)NCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCCCCCCC(C)C.C=CC(=O)OCCNC(=O)NCCCC(C)C.C=CC(=O)OCCOC(=O)NCCCC(C)C
• InChI: InChI=1S/C14H26O2.2C12H23N3O2.C12H22N2O3.C12H21NO4.C11H19NO3.5C9H17NO.3C9H16O2.28CH4/c1-4-14(15)16-12-10-8-6-5-7-9-11-13(2)3;2*1-4-11(16)13-8-9-15-12(17)14-7-5-6-10(2)3;1-4-11(15)17-9-8-14-12(16)13-7-5-6-10(2)3;1-4-11(14)16-8-9-17-12(15)13-7-5-6-10(2)3;1-4-11(14)15-8-10(13)12-7-5-6-9(2)3;5*1-4-9(11)10-7-5-6-8(2)3;3*1-4-9(10)11-7-5-6-8(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4,13H,1,5-12H2,2-3H3;2*4,10H,1,5-9H2,2-3H3,(H,13,16)(H2,14,15,17);4,10H,1,5-9H2,2-3H3,(H2,13,14,16);4,10H,1,5-9H2,2-3H3,(H,13,15);4,9H,1,5-8H2,2-3H3,(H,12,13);5*4,8H,1,5-7H2,2-3H3,(H,10,11);3*4,8H,1,5-7H2,2-3H3;28*1H4
• InChIKey: OFCGXOKZRMWCIB-UHFFFAOYSA-N
• XLogP: 43.64
• TPSA: 578.62 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 27
• Rotatable Bonds: 89
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3102.01
LogP ≤ 5	43.64
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	27

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'}

Frequently Asked Questions

What is the IUPAC name of methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)?

The IUPAC name of methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate) (CID 163832775) is methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate).

What is the SMILES notation for methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)?

The canonical SMILES for methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCCC(C)C.C=CC(=O)NCCNC(=O)NCCCC(C)C.C=CC(=O)NCCNC(=O)NCCCC(C)C.C=CC(=O)OCC(=O)NCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCC(C)C.C=CC(=O)OCCCCCCCCC(C)C.C=CC(=O)OCCNC(=O)NCCCC(C)C.C=CC(=O)OCCOC(=O)NCCCC(C)C.

What is the InChIKey of methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)?

The InChIKey is OFCGXOKZRMWCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.2C12H23N3O2.C12H22N2O3.C12H21NO4.C11H19NO3.5C9H17NO.3C9H16O2.28CH4/c1-4-14(15)16-12-10-8-6-5-7-9-11-13(2)3;2*1-4-11(16)13-8-9-15-12(17)14-7-5-6-10(2)3;1-4-11(15)17-9-8-14-12(16)13-7-5-6-10(2)3;1-4-11(14)16-8-9-17-12(15)13-7-5-6-10(2)3;1-4-11(14)15-8-10(13)12-7-5-6-9(2)3;5*1-4-9(11)10-7-5-6-8(2)3;3*1-4-9(10)11-7-5-6-8(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4,13H,1,5-12H2,2-3H3;2*4,10H,1,5-9H2,2-3H3,(H,13,16)(H2,14,15,17);4,10H,1,5-9H2,2-3H3,(H2,13,14,16);4,10H,1,5-9H2,2-3H3,(H,13,15);4,9H,1,5-8H2,2-3H3,(H,12,13);5*4,8H,1,5-7H2,2-3H3,(H,10,11);3*4,8H,1,5-7H2,2-3H3;28*1H4.

What are the key properties of methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate)?

methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate) has a molecular weight of 3102.01 g/mol, XLogP of 43.64, 89 rotatable bonds, 15 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for methane;9-methyldecyl prop-2-enoate;[2-(4-methylpentylamino)-2-oxoethyl] prop-2-enoate;bis(N-[2-(4-methylpentylcarbamoylamino)ethyl]prop-2-enamide);2-(4-methylpentylcarbamoylamino)ethyl prop-2-enoate;2-(4-methylpentylcarbamoyloxy)ethyl prop-2-enoate;pentakis(N-(4-methylpentyl)prop-2-enamide);tris(4-methylpentyl prop-2-enoate) is sourced from PubChem (CID 163832775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).