2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone

C44H76N4O10 — CID 169427566

IUPAC2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
SMILESC=CCN(CC=C)C(=O)COCCOCCOCC(=O)N(CC=C)CC=C.CCC1CN(C(=O)COCCOCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C24H44N2O5.C20H32N2O5/c1-5-19-13-25(14-20(19)6-2)23(27)17-30-11-9-29-10-12-31-18-24(28)26-15-21(7-3)22(8-4)16-26;1-5-9-21(10-6-2)19(23)17-26-15-13-25-14-16-27-18-20(24)22(11-7-3)12-8-4/h19-22H,5-18H2,1-4H3;5-8H,1-4,9-18H2
InChIKeyMTSHFQQCKRBVGM-UHFFFAOYSA-N
MW821.11 g/mol
LogP4.26
Rot. Bonds32

About 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone

2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone (PubChem CID 169427566) has the molecular formula C44H76N4O10 and a molecular weight of 821.11 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone.

Molecular Properties

Compound Name2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
PubChem CID169427566
Molecular FormulaC44H76N4O10
Molecular Weight821.11 g/mol
Exact Mass820.56
IUPAC Name2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
SMILESC=CCN(CC=C)C(=O)COCCOCCOCC(=O)N(CC=C)CC=C.CCC1CN(C(=O)COCCOCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C24H44N2O5.C20H32N2O5/c1-5-19-13-25(14-20(19)6-2)23(27)17-30-11-9-29-10-12-31-18-24(28)26-15-21(7-3)22(8-4)16-26;1-5-9-21(10-6-2)19(23)17-26-15-13-25-14-16-27-18-20(24)22(11-7-3)12-8-4/h19-22H,5-18H2,1-4H3;5-8H,1-4,9-18H2
InChIKeyMTSHFQQCKRBVGM-UHFFFAOYSA-N
XLogP4.26
TPSA136.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500821.11
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone?
The IUPAC name of 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone (CID 169427566) is 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone.
What is the SMILES notation for 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone?
The canonical SMILES for 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone is C=CCN(CC=C)C(=O)COCCOCCOCC(=O)N(CC=C)CC=C.CCC1CN(C(=O)COCCOCCOCC(=O)N2CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone?
The InChIKey is MTSHFQQCKRBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O5.C20H32N2O5/c1-5-19-13-25(14-20(19)6-2)23(27)17-30-11-9-29-10-12-31-18-24(28)26-15-21(7-3)22(8-4)16-26;1-5-9-21(10-6-2)19(23)17-26-15-13-25-14-16-27-18-20(24)22(11-7-3)12-8-4/h19-22H,5-18H2,1-4H3;5-8H,1-4,9-18H2.
What are the key properties of 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone?
2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone has a molecular weight of 821.11 g/mol, XLogP of 4.26, 32 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]ethoxy]ethoxy]-N,N-bis(prop-2-enyl)acetamide;1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone is sourced from PubChem (CID 169427566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).