decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

C18H30N2O4 — CID 101049324

IUPACdecyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCCCCCCCCOC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N2O4/c1-3-4-5-6-7-8-9-10-13-24-16(21)11-12-20-14-15(2)17(22)19-18(20)23/h14H,3-13H2,1-2H3,(H,19,22,23)
InChIKeyMQYKCBMLAMMNIJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.92
Rot. Bonds12

About decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 101049324) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namedecyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID101049324
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Namedecyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCCCCCCCCOC(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N2O4/c1-3-4-5-6-7-8-9-10-13-24-16(21)11-12-20-14-15(2)17(22)19-18(20)23/h14H,3-13H2,1-2H3,(H,19,22,23)
InChIKeyMQYKCBMLAMMNIJ-UHFFFAOYSA-N
XLogP2.92
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
alumane;hexyl octanoate
CID 174689028
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
dihexadecyl butanedioate
CID 3572854
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
10-O-octyl 1-O-pentyl decanedioate
CID 91729267
nonyl hexanoate
CID 576021

Frequently Asked Questions

What is the IUPAC name of decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (CID 101049324) is decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is CCCCCCCCCCOC(=O)CCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is MQYKCBMLAMMNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-4-5-6-7-8-9-10-13-24-16(21)11-12-20-14-15(2)17(22)19-18(20)23/h14H,3-13H2,1-2H3,(H,19,22,23).
What are the key properties of decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 338.45 g/mol, XLogP of 2.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 101049324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).