N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide

C22H22N2O5 — CID 155523597

IUPACN-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)CN4CCCC4)cc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O5/c1-27-17-8-9-18-19(12-17)29-22(26)13-20(18)28-16-6-4-15(5-7-16)23-21(25)14-24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,25)
InChIKeyVTSLSESFLAJIJV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.63
Rot. Bonds6

About N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide

N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 155523597) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID155523597
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)CN4CCCC4)cc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O5/c1-27-17-8-9-18-19(12-17)29-22(26)13-20(18)28-16-6-4-15(5-7-16)23-21(25)14-24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,25)
InChIKeyVTSLSESFLAJIJV-UHFFFAOYSA-N
XLogP3.63
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide (CID 155523597) is N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide is COc1ccc2c(Oc3ccc(NC(=O)CN4CCCC4)cc3)cc(=O)oc2c1.
What is the InChIKey of N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is VTSLSESFLAJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-17-8-9-18-19(12-17)29-22(26)13-20(18)28-16-6-4-15(5-7-16)23-21(25)14-24-10-2-3-11-24/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 394.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-methoxy-2-oxochromen-4-yl)oxyphenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 155523597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).