2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate

C24H40N2O8 — CID 139632024

IUPAC2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCCCN(CCOC(=O)C(=C)C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C24H40N2O8/c1-7-31-23(29)25(15-17-33-21(27)19(3)4)13-11-9-10-12-14-26(24(30)32-8-2)16-18-34-22(28)20(5)6/h3,5,7-18H2,1-2,4,6H3
InChIKeyQCTZNAHXNDPAEJ-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.70
Rot. Bonds17

About 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate

2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 139632024) has the molecular formula C24H40N2O8 and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID139632024
Molecular FormulaC24H40N2O8
Molecular Weight484.59 g/mol
Exact Mass484.28
IUPAC Name2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCCCN(CCOC(=O)C(=C)C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C24H40N2O8/c1-7-31-23(29)25(15-17-33-21(27)19(3)4)13-11-9-10-12-14-26(24(30)32-8-2)16-18-34-22(28)20(5)6/h3,5,7-18H2,1-2,4,6H3
InChIKeyQCTZNAHXNDPAEJ-UHFFFAOYSA-N
XLogP3.70
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
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'}

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Related Compounds

ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]-3,5,5-trimethylhexyl]amino]ethyl 2-methylprop-2-enoate
CID 140510057
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
[4-[bis[3-(2-methylprop-2-enoyloxy)propyl]amino]-4-oxobutyl] 2-methylprop-2-enoate
CID 87748178
2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
ethyl 2-methylprop-2-enoate
CID 130475774
2-[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]oxyethyl 2-methylprop-2-enoate
CID 102260637
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 88559321

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate (CID 139632024) is 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCCCCCN(CCOC(=O)C(=C)C)C(=O)OCC)C(=O)OCC.
What is the InChIKey of 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is QCTZNAHXNDPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O8/c1-7-31-23(29)25(15-17-33-21(27)19(3)4)13-11-9-10-12-14-26(24(30)32-8-2)16-18-34-22(28)20(5)6/h3,5,7-18H2,1-2,4,6H3.
What are the key properties of 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate?
2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 484.59 g/mol, XLogP of 3.70, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139632024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).