[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate

C18H20N2O4 — CID 2558366

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O4/c1-12(2)10-19-18(23)20-16(21)11-24-17(22)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,23)
InChIKeyBTJAEOPQLNLIHN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.48
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2558366) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2558366
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O4/c1-12(2)10-19-18(23)20-16(21)11-24-17(22)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,23)
InChIKeyBTJAEOPQLNLIHN-UHFFFAOYSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7670898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487334
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2641341
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605824
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558377
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 42898503
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-1-carboxylate
CID 8707372

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate (CID 2558366) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is BTJAEOPQLNLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)10-19-18(23)20-16(21)11-24-17(22)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2558366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).