naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

C24H20N2O4 — CID 9136842

IUPACnaphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OCc1cccc2ccccc12
InChIInChI=1S/C24H20N2O4/c27-22-13-14-25(15-18-7-2-1-3-8-18)24(29)26(22)16-23(28)30-17-20-11-6-10-19-9-4-5-12-21(19)20/h1-14H,15-17H2
InChIKeySAWJEPONWQTTFF-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.95
Rot. Bonds6

About naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate

naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 9136842) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID9136842
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namenaphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OCc1cccc2ccccc12
InChIInChI=1S/C24H20N2O4/c27-22-13-14-25(15-18-7-2-1-3-8-18)24(29)26(22)16-23(28)30-17-20-11-6-10-19-9-4-5-12-21(19)20/h1-14H,15-17H2
InChIKeySAWJEPONWQTTFF-UHFFFAOYSA-N
XLogP2.95
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-nitrophenyl)methyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136770
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate (CID 9136842) is naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is SAWJEPONWQTTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-22-13-14-25(15-18-7-2-1-3-8-18)24(29)26(22)16-23(28)30-17-20-11-6-10-19-9-4-5-12-21(19)20/h1-14H,15-17H2.
What are the key properties of naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate?
naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 400.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 9136842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).