2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

C19H20ClN3O4 — CID 4911153

IUPAC2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12
InChIInChI=1S/C19H20ClN3O4/c1-2-13-8-19(25)27-16-10-17(15(20)9-14(13)16)26-11-18(24)22-4-3-6-23-7-5-21-12-23/h5,7-10,12H,2-4,6,11H2,1H3,(H,22,24)
InChIKeyIIGQEJULDDHINA-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.79
Rot. Bonds8

About 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4911153) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4911153
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12
InChIInChI=1S/C19H20ClN3O4/c1-2-13-8-19(25)27-16-10-17(15(20)9-14(13)16)26-11-18(24)22-4-3-6-23-7-5-21-12-23/h5,7-10,12H,2-4,6,11H2,1H3,(H,22,24)
InChIKeyIIGQEJULDDHINA-UHFFFAOYSA-N
XLogP2.79
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4837635
N-(3-(1H-imidazol-1-yl)propyl)-2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 4837834
N-(3-(1H-imidazol-1-yl)propyl)-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanamide
CID 4839553
N-(3-(1H-imidazol-1-yl)propyl)-2-((4-ethyl-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-5-yl)oxy)acetamide
CID 4868788
N-(3-(1H-imidazol-1-yl)propyl)-2-((8,8-dimethyl-2-oxo-4-propyl-2,8,9,10-tetrahydropyrano[2,3-f]chromen-5-yl)oxy)acetamide
CID 4868928
2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 4870750
N-(3-(1H-imidazol-1-yl)propyl)-2-((6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)propanamide
CID 4902437
2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 4903562
N-(3-(1H-imidazol-1-yl)propyl)-2-((2-oxo-4-propyl-2H-chromen-7-yl)oxy)acetamide
CID 4904099
N-(3-(1H-imidazol-1-yl)propyl)-2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamide
CID 4904978
N-(3-(1H-imidazol-1-yl)propyl)-2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamide
CID 4906082

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (CID 4911153) is 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is CCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is IIGQEJULDDHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-2-13-8-19(25)27-16-10-17(15(20)9-14(13)16)26-11-18(24)22-4-3-6-23-7-5-21-12-23/h5,7-10,12H,2-4,6,11H2,1H3,(H,22,24).
What are the key properties of 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 389.84 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4911153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).