2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate

C18H32N2O6 — CID 118689097

IUPAC2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate
SMILESCCN(CC)C(=O)CCC(=O)N(CCOC)CCOC(=O)CCC(C)=O
InChIInChI=1S/C18H32N2O6/c1-5-19(6-2)16(22)8-9-17(23)20(11-13-25-4)12-14-26-18(24)10-7-15(3)21/h5-14H2,1-4H3
InChIKeyGYRTXWSNXDUVTJ-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.02
Rot. Bonds14

About 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate

2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate (PubChem CID 118689097) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate
PubChem CID118689097
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Name2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate
SMILESCCN(CC)C(=O)CCC(=O)N(CCOC)CCOC(=O)CCC(C)=O
InChIInChI=1S/C18H32N2O6/c1-5-19(6-2)16(22)8-9-17(23)20(11-13-25-4)12-14-26-18(24)10-7-15(3)21/h5-14H2,1-4H3
InChIKeyGYRTXWSNXDUVTJ-UHFFFAOYSA-N
XLogP1.02
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate with MolForge

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Related Compounds

3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
CID 142491942
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
6-methoxyhexyl 4-oxopentanoate
CID 89458517
chloromethyl 4-(diethylamino)-4-oxobutanoate
CID 19735934
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
propyl 6-(diethylamino)-6-oxohexanoate
CID 123558597
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
2-ethoxyethyl 4-oxopentanoate
CID 22556205

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate?
The IUPAC name of 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate (CID 118689097) is 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate.
What is the SMILES notation for 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate?
The canonical SMILES for 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate is CCN(CC)C(=O)CCC(=O)N(CCOC)CCOC(=O)CCC(C)=O.
What is the InChIKey of 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate?
The InChIKey is GYRTXWSNXDUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-5-19(6-2)16(22)8-9-17(23)20(11-13-25-4)12-14-26-18(24)10-7-15(3)21/h5-14H2,1-4H3.
What are the key properties of 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate?
2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate has a molecular weight of 372.46 g/mol, XLogP of 1.02, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate is sourced from PubChem (CID 118689097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).