[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate

C18H18N2O6 — CID 3903369

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2oc1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H18N2O6/c21-15(20-18(24)19-12-6-2-3-7-12)10-25-16(22)13-9-11-5-1-4-8-14(11)26-17(13)23/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,19,20,21,24)
InChIKeyKRLLZSKILZOWTH-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.72
Rot. Bonds4

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate (PubChem CID 3903369) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
PubChem CID3903369
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2oc1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H18N2O6/c21-15(20-18(24)19-12-6-2-3-7-12)10-25-16(22)13-9-11-5-1-4-8-14(11)26-17(13)23/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,19,20,21,24)
InChIKeyKRLLZSKILZOWTH-UHFFFAOYSA-N
XLogP1.72
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785508
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 11913970
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290384
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 1280548
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194099
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785481
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7722844

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate (CID 3903369) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate is O=C(COC(=O)c1cc2ccccc2oc1=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
The InChIKey is KRLLZSKILZOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-15(20-18(24)19-12-6-2-3-7-12)10-25-16(22)13-9-11-5-1-4-8-14(11)26-17(13)23/h1,4-5,8-9,12H,2-3,6-7,10H2,(H2,19,20,21,24).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate has a molecular weight of 358.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 3903369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).