N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide

C15H23N3O4 — CID 154787984

IUPACN-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-22-12-9-18(15(21)17-14(12)20)10-13(19)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyLEIGJGLUDGIIPF-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.77
Rot. Bonds4

About N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide

N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 154787984) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID154787984
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H23N3O4/c1-22-12-9-18(15(21)17-14(12)20)10-13(19)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,19)(H,17,20,21)
InChIKeyLEIGJGLUDGIIPF-UHFFFAOYSA-N
XLogP0.77
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-cyclooctyl-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639863
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
N-cyclopentyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetamide
CID 44826930
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 6723546
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 124732047
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119619861
N-cyclopentyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 71703246
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide (CID 154787984) is N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide is COc1cn(CC(=O)NC2CCCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is LEIGJGLUDGIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-22-12-9-18(15(21)17-14(12)20)10-13(19)16-11-7-5-3-2-4-6-8-11/h9,11H,2-8,10H2,1H3,(H,16,19)(H,17,20,21).
What are the key properties of N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide?
N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(5-methoxy-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 154787984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).