(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate

C19H15NO5 — CID 27190530

IUPAC(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)OCc3ccc(C(N)=O)cc3)cc(=O)c2c1
InChIInChI=1S/C19H15NO5/c1-11-2-7-16-14(8-11)15(21)9-17(25-16)19(23)24-10-12-3-5-13(6-4-12)18(20)22/h2-9H,10H2,1H3,(H2,20,22)
InChIKeyOTZUPDHLRBYVPU-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.56
Rot. Bonds4

About (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate

(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 27190530) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
PubChem CID27190530
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SMILESCc1ccc2oc(C(=O)OCc3ccc(C(N)=O)cc3)cc(=O)c2c1
InChIInChI=1S/C19H15NO5/c1-11-2-7-16-14(8-11)15(21)9-17(25-16)19(23)24-10-12-3-5-13(6-4-12)18(20)22/h2-9H,10H2,1H3,(H2,20,22)
InChIKeyOTZUPDHLRBYVPU-UHFFFAOYSA-N
XLogP2.56
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate (CID 27190530) is (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate is Cc1ccc2oc(C(=O)OCc3ccc(C(N)=O)cc3)cc(=O)c2c1.
What is the InChIKey of (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is OTZUPDHLRBYVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11-2-7-16-14(8-11)15(21)9-17(25-16)19(23)24-10-12-3-5-13(6-4-12)18(20)22/h2-9H,10H2,1H3,(H2,20,22).
What are the key properties of (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate?
(4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 27190530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).