2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C20H24N4O4 — CID 171915665

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NC(C)c3nncn3C(C)C)ccc12
InChIInChI=1S/C20H24N4O4/c1-5-14-8-19(26)28-17-9-15(6-7-16(14)17)27-10-18(25)22-13(4)20-23-21-11-24(20)12(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,25)
InChIKeyYZGONGDLJPTLKK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 171915665) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID171915665
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NC(C)c3nncn3C(C)C)ccc12
InChIInChI=1S/C20H24N4O4/c1-5-14-8-19(26)28-17-9-15(6-7-16(14)17)27-10-18(25)22-13(4)20-23-21-11-24(20)12(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,25)
InChIKeyYZGONGDLJPTLKK-UHFFFAOYSA-N
XLogP2.78
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 46676212
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 7699702
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42900895
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-[1-(4-bromophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16548257
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 171915665) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CCc1cc(=O)oc2cc(OCC(=O)NC(C)c3nncn3C(C)C)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is YZGONGDLJPTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-5-14-8-19(26)28-17-9-15(6-7-16(14)17)27-10-18(25)22-13(4)20-23-21-11-24(20)12(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,25).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 171915665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).