ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate

C30H51N3O10 — CID 135016898

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate
SMILESC=CCC(C(=O)OCC)N(CCN(CCN(CC(=O)OCC)C(CC=C)C(=O)OCC)CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C30H51N3O10/c1-8-15-24(29(37)42-13-6)32(22-27(35)40-11-4)19-17-31(21-26(34)39-10-3)18-20-33(23-28(36)41-12-5)25(16-9-2)30(38)43-14-7/h8-9,24-25H,1-2,10-23H2,3-7H3
InChIKeyQFBYSKGOYIHVSS-UHFFFAOYSA-N
MW613.75 g/mol
LogP1.60
Rot. Bonds25

About ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate

ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate (PubChem CID 135016898) has the molecular formula C30H51N3O10 and a molecular weight of 613.75 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate
PubChem CID135016898
Molecular FormulaC30H51N3O10
Molecular Weight613.75 g/mol
Exact Mass613.36
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate
SMILESC=CCC(C(=O)OCC)N(CCN(CCN(CC(=O)OCC)C(CC=C)C(=O)OCC)CC(=O)OCC)CC(=O)OCC
InChIInChI=1S/C30H51N3O10/c1-8-15-24(29(37)42-13-6)32(22-27(35)40-11-4)19-17-31(21-26(34)39-10-3)18-20-33(23-28(36)41-12-5)25(16-9-2)30(38)43-14-7/h8-9,24-25H,1-2,10-23H2,3-7H3
InChIKeyQFBYSKGOYIHVSS-UHFFFAOYSA-N
XLogP1.60
TPSA141.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.75
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-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

Ethyl 2-(dimethylamino)pent-4-enoate hydrochloride
CID 146155858
Ethyl 2-[bis[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]amino]pent-4-enoate
CID 53375470
Ethyl 2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]pent-4-enoate
CID 135016895
Ethyl 2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]pent-4-enoate
CID 135016896
Ethyl 2-[bis[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]pent-4-enoate
CID 135016897
4-Pentenoic acid, 2-(dimethylamino)-, ethyl ester
CID 10725851
Diethyl 2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]-2-prop-2-enylpropanedioate
CID 11050545
ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-2-(diethylamino)docosa-4,7,10,13,16,19-hexaenoate
CID 57723986
Ethyl 2-[2-[2-[bis[(4-methyl-1,3-dioxetan-2-yl)methyl]amino]ethyl-[1-(4-methyl-1,3-dioxetan-2-yl)but-3-enyl]amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 68185968
Ethyl 2-[2-[2-(dipropylamino)ethyl-hex-5-en-3-ylamino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 88860520
Ethyl 2-(diethylamino)docosa-4,7,10,13,16,19-hexaenoate
CID 91343379
Ethyl 2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-propylamino]ethyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylpent-4-enoate
CID 118245597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate (CID 135016898) is ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate is C=CCC(C(=O)OCC)N(CCN(CCN(CC(=O)OCC)C(CC=C)C(=O)OCC)CC(=O)OCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate?
The InChIKey is QFBYSKGOYIHVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O10/c1-8-15-24(29(37)42-13-6)32(22-27(35)40-11-4)19-17-31(21-26(34)39-10-3)18-20-33(23-28(36)41-12-5)25(16-9-2)30(38)43-14-7/h8-9,24-25H,1-2,10-23H2,3-7H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate has a molecular weight of 613.75 g/mol, XLogP of 1.60, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopent-4-en-2-yl)amino]ethyl]amino]ethyl]amino]pent-4-enoate is sourced from PubChem (CID 135016898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).