[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate

C18H20N2O5 — CID 2646135

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C18H20N2O5/c1-11(2)19-18(23)20-16(21)10-25-17(22)14-8-12-6-4-5-7-13(12)9-15(14)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyCPJOIYKBWCXDNR-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.24
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 2646135) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID2646135
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1cc2ccccc2cc1C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C18H20N2O5/c1-11(2)19-18(23)20-16(21)10-25-17(22)14-8-12-6-4-5-7-13(12)9-15(14)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyCPJOIYKBWCXDNR-UHFFFAOYSA-N
XLogP2.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663718
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200472
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663634
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766908
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7767019
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194414
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2651216
[2-(3-methoxypropylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8663640

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate (CID 2646135) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate is COc1cc2ccccc2cc1C(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is CPJOIYKBWCXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(2)19-18(23)20-16(21)10-25-17(22)14-8-12-6-4-5-7-13(12)9-15(14)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 2646135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).