[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

C17H19ClN2O5 — CID 46641315

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C17H19ClN2O5/c1-10(2)7-19-17(23)20-15(21)9-25-16(22)12-5-11-6-13(18)3-4-14(11)24-8-12/h3-6,10H,7-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyLPZZDRMVSCJHLX-UHFFFAOYSA-N
MW366.80 g/mol
LogP2.14
Rot. Bonds5

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (PubChem CID 46641315) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
PubChem CID46641315
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C17H19ClN2O5/c1-10(2)7-19-17(23)20-15(21)9-25-16(22)12-5-11-6-13(18)3-4-14(11)24-8-12/h3-6,10H,7-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyLPZZDRMVSCJHLX-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 46641415
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18099486
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2647912
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443931
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443748
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 55443891
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 47013906
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18293054
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-propan-2-ylamino]acetate
CID 78884644

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate (CID 46641315) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
The InChIKey is LPZZDRMVSCJHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c1-10(2)7-19-17(23)20-15(21)9-25-16(22)12-5-11-6-13(18)3-4-14(11)24-8-12/h3-6,10H,7-9H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate has a molecular weight of 366.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate is sourced from PubChem (CID 46641315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).