N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H18N2O6 — CID 12585323

IUPACN-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C20H18N2O6/c1-12-9-19(24)28-17-10-15(7-8-16(12)17)27-11-18(23)22-20(25)21-13-3-5-14(26-2)6-4-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyGPBZWRXOQFVFQU-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.84
Rot. Bonds5

About N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 12585323) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID12585323
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C20H18N2O6/c1-12-9-19(24)28-17-10-15(7-8-16(12)17)27-11-18(23)22-20(25)21-13-3-5-14(26-2)6-4-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25)
InChIKeyGPBZWRXOQFVFQU-UHFFFAOYSA-N
XLogP2.84
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826068
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26752508
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 12585323) is N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is COc1ccc(NC(=O)NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GPBZWRXOQFVFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-12-9-19(24)28-17-10-15(7-8-16(12)17)27-11-18(23)22-20(25)21-13-3-5-14(26-2)6-4-13/h3-10H,11H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 382.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 12585323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).