N-benzyl-7-methoxy-2-oxochromene-3-carboxamide

C18H15NO4 — CID 3164596

IUPACN-benzyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-22-14-8-7-13-9-15(18(21)23-16(13)10-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLRCHHYFDALFKCK-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.73
Rot. Bonds4

About N-benzyl-7-methoxy-2-oxochromene-3-carboxamide

N-benzyl-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 3164596) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-benzyl-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID3164596
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC NameN-benzyl-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-22-14-8-7-13-9-15(18(21)23-16(13)10-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyLRCHHYFDALFKCK-UHFFFAOYSA-N
XLogP2.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzyl-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-benzyl-7-methoxy-2-oxochromene-3-carboxamide (CID 3164596) is N-benzyl-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-benzyl-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-benzyl-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is LRCHHYFDALFKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-14-8-7-13-9-15(18(21)23-16(13)10-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-7-methoxy-2-oxochromene-3-carboxamide?
N-benzyl-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3164596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).