5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione

C18H26N4O5 — CID 56690289

IUPAC5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(CN2CCCC2=O)C(=O)N(CN2CCCC2=O)C1=O
InChIInChI=1S/C18H26N4O5/c1-3-18(4-2)15(25)21(11-19-9-5-7-13(19)23)17(27)22(16(18)26)12-20-10-6-8-14(20)24/h3-12H2,1-2H3
InChIKeyJAUIMCIANLIVOR-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.74
Rot. Bonds6

About 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione

5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 56690289) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID56690289
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(CN2CCCC2=O)C(=O)N(CN2CCCC2=O)C1=O
InChIInChI=1S/C18H26N4O5/c1-3-18(4-2)15(25)21(11-19-9-5-7-13(19)23)17(27)22(16(18)26)12-20-10-6-8-14(20)24/h3-12H2,1-2H3
InChIKeyJAUIMCIANLIVOR-UHFFFAOYSA-N
XLogP0.74
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118738723
1,3-Dibutyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 15439160
(5R)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97360441
(5S)-13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97360442
(5S)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97360547
(5R)-13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97360548
2-Methyl-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370126
2-Ethyl-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370157
2-(2-Methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370175
[3-(Aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120810029
13-acetyl-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 131659744
1,3-Dimethyl-5-[2-(8-methyl-2,8-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]imidazolidine-2,4-dione formate
CID 131946503

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione (CID 56690289) is 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)N(CN2CCCC2=O)C(=O)N(CN2CCCC2=O)C1=O.
What is the InChIKey of 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is JAUIMCIANLIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-3-18(4-2)15(25)21(11-19-9-5-7-13(19)23)17(27)22(16(18)26)12-20-10-6-8-14(20)24/h3-12H2,1-2H3.
What are the key properties of 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 378.43 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 56690289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).