ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate

C16H29N3O4 — CID 24839034

IUPACethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CCN(CC)CC)C1=O
InChIInChI=1S/C16H29N3O4/c1-6-12(13(20)23-9-4)16(5)14(21)19(15(22)17-16)11-10-18(7-2)8-3/h12H,6-11H2,1-5H3,(H,17,22)
InChIKeyRZCWVNGDMYISEH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.23
Rot. Bonds9

About ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate

ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate (PubChem CID 24839034) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
PubChem CID24839034
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nameethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CCN(CC)CC)C1=O
InChIInChI=1S/C16H29N3O4/c1-6-12(13(20)23-9-4)16(5)14(21)19(15(22)17-16)11-10-18(7-2)8-3/h12H,6-11H2,1-5H3,(H,17,22)
InChIKeyRZCWVNGDMYISEH-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The IUPAC name of ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate (CID 24839034) is ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The canonical SMILES for ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate is CCOC(=O)C(CC)C1(C)NC(=O)N(CCN(CC)CC)C1=O.
What is the InChIKey of ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
The InChIKey is RZCWVNGDMYISEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-6-12(13(20)23-9-4)16(5)14(21)19(15(22)17-16)11-10-18(7-2)8-3/h12H,6-11H2,1-5H3,(H,17,22).
What are the key properties of ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate?
ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate has a molecular weight of 327.43 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(diethylamino)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]butanoate is sourced from PubChem (CID 24839034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).