2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide

C21H21NO5 — CID 1188736

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(C)C)cc3)ccc12
InChIInChI=1S/C21H21NO5/c1-13(2)26-16-6-4-15(5-7-16)22-20(23)12-25-17-8-9-18-14(3)10-21(24)27-19(18)11-17/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyUKHXWDPPGMTQGI-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.91
Rot. Bonds6

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 1188736) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID1188736
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(C)C)cc3)ccc12
InChIInChI=1S/C21H21NO5/c1-13(2)26-16-6-4-15(5-7-16)22-20(23)12-25-17-8-9-18-14(3)10-21(24)27-19(18)11-17/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyUKHXWDPPGMTQGI-UHFFFAOYSA-N
XLogP3.91
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide (CID 1188736) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OC(C)C)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is UKHXWDPPGMTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-13(2)26-16-6-4-15(5-7-16)22-20(23)12-25-17-8-9-18-14(3)10-21(24)27-19(18)11-17/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 367.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 1188736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).