N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C21H21NO4 — CID 1079164

IUPACN-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NC2CCCC2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C21H21NO4/c1-13-18(25-12-19(23)22-14-6-2-3-7-14)11-10-16-15-8-4-5-9-17(15)21(24)26-20(13)16/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,22,23)
InChIKeyYAZNSANLVBHLDS-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 1079164) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID1079164
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NC2CCCC2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C21H21NO4/c1-13-18(25-12-19(23)22-14-6-2-3-7-14)11-10-16-15-8-4-5-9-17(15)21(24)26-20(13)16/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,22,23)
InChIKeyYAZNSANLVBHLDS-UHFFFAOYSA-N
XLogP3.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 1079164) is N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is Cc1c(OCC(=O)NC2CCCC2)ccc2c1oc(=O)c1ccccc12.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is YAZNSANLVBHLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13-18(25-12-19(23)22-14-6-2-3-7-14)11-10-16-15-8-4-5-9-17(15)21(24)26-20(13)16/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,22,23).
What are the key properties of N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 1079164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).