N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide

C24H19NO4 — CID 42618024

IUPACN-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
InChIInChI=1S/C24H19NO4/c1-25(19-10-6-3-7-11-19)23(26)21-14-18-12-13-20(15-22(18)29-24(21)27)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyFEGWZNRFIPWQSF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.65
Rot. Bonds5

About N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide

N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide (PubChem CID 42618024) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
PubChem CID42618024
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
InChIInChI=1S/C24H19NO4/c1-25(19-10-6-3-7-11-19)23(26)21-14-18-12-13-20(15-22(18)29-24(21)27)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyFEGWZNRFIPWQSF-UHFFFAOYSA-N
XLogP4.65
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
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-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide (CID 42618024) is N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide is CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1.
What is the InChIKey of N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
The InChIKey is FEGWZNRFIPWQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-25(19-10-6-3-7-11-19)23(26)21-14-18-12-13-20(15-22(18)29-24(21)27)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide?
N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-phenyl-7-phenylmethoxychromene-3-carboxamide is sourced from PubChem (CID 42618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).