methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate

C20H22N2O6 — CID 1067758

IUPACmethyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2c(NC(=O)CCC(=O)OC)cccc12
InChIInChI=1S/C20H22N2O6/c1-27-19(25)11-9-17(23)21-15-7-3-6-14-13(15)5-4-8-16(14)22-18(24)10-12-20(26)28-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFGPUYYRHXNRCTF-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.62
Rot. Bonds8

About methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate

methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate (PubChem CID 1067758) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate
PubChem CID1067758
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Namemethyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2c(NC(=O)CCC(=O)OC)cccc12
InChIInChI=1S/C20H22N2O6/c1-27-19(25)11-9-17(23)21-15-7-3-6-14-13(15)5-4-8-16(14)22-18(24)10-12-20(26)28-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFGPUYYRHXNRCTF-UHFFFAOYSA-N
XLogP2.62
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate (CID 1067758) is methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)Nc1cccc2c(NC(=O)CCC(=O)OC)cccc12.
What is the InChIKey of methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate?
The InChIKey is FGPUYYRHXNRCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-27-19(25)11-9-17(23)21-15-7-3-6-14-13(15)5-4-8-16(14)22-18(24)10-12-20(26)28-2/h3-8H,9-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate?
methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate has a molecular weight of 386.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-methoxy-4-oxobutanoyl)amino]naphthalen-1-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 1067758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).