2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C20H23ClN2O5 — CID 4907318

IUPAC2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1c(C)c2cc(Cl)c(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O
InChIInChI=1S/C20H23ClN2O5/c1-12-13(2)20(26)28-16-10-17(15(21)9-14(12)16)27-11-18(24)22-6-4-8-23-7-3-5-19(23)25/h9-10H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyQCUOERNWITXGBL-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.57
Rot. Bonds7

About 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 4907318) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID4907318
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Name2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1c(C)c2cc(Cl)c(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O
InChIInChI=1S/C20H23ClN2O5/c1-12-13(2)20(26)28-16-10-17(15(21)9-14(12)16)27-11-18(24)22-6-4-8-23-7-3-5-19(23)25/h9-10H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyQCUOERNWITXGBL-UHFFFAOYSA-N
XLogP2.57
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4906252
2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 6228182
2-[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(3-hydroxypropyl)acetamide
CID 4903503
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
CID 4967997
2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 4910162
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
2-(2-bromo-4-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2392820
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(2-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 25162858

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 4907318) is 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1c(C)c2cc(Cl)c(OCC(=O)NCCCN3CCCC3=O)cc2oc1=O.
What is the InChIKey of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is QCUOERNWITXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-12-13(2)20(26)28-16-10-17(15(21)9-14(12)16)27-11-18(24)22-6-4-8-23-7-3-5-19(23)25/h9-10H,3-8,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 4907318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).