2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide

C22H22N2O4 — CID 50794940

IUPAC2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C22H22N2O4/c1-15-8-2-4-10-17(15)27-14-19(25)23-20-21(24-12-6-7-13-24)16-9-3-5-11-18(16)28-22(20)26/h2-5,8-11H,6-7,12-14H2,1H3,(H,23,25)
InChIKeyICFZJBPCIOMQNO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.72
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide

2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide (PubChem CID 50794940) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
PubChem CID50794940
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O
InChIInChI=1S/C22H22N2O4/c1-15-8-2-4-10-17(15)27-14-19(25)23-20-21(24-12-6-7-13-24)16-9-3-5-11-18(16)28-22(20)26/h2-5,8-11H,6-7,12-14H2,1H3,(H,23,25)
InChIKeyICFZJBPCIOMQNO-UHFFFAOYSA-N
XLogP3.72
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.72
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-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide (CID 50794940) is 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide is Cc1ccccc1OCC(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
The InChIKey is ICFZJBPCIOMQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-8-2-4-10-17(15)27-14-19(25)23-20-21(24-12-6-7-13-24)16-9-3-5-11-18(16)28-22(20)26/h2-5,8-11H,6-7,12-14H2,1H3,(H,23,25).
What are the key properties of 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide?
2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)acetamide is sourced from PubChem (CID 50794940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).