N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide

C24H19NO4 — CID 42618016

IUPACN-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)21-13-19-11-12-20(14-22(19)29-24(21)27)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)
InChIKeyVAKYOJMRXOMWEJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.30
Rot. Bonds6

About N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide

N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide (PubChem CID 42618016) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
PubChem CID42618016
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
InChIInChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)21-13-19-11-12-20(14-22(19)29-24(21)27)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26)
InChIKeyVAKYOJMRXOMWEJ-UHFFFAOYSA-N
XLogP4.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.30
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-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The IUPAC name of N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide (CID 42618016) is N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide is O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O.
What is the InChIKey of N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
The InChIKey is VAKYOJMRXOMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(25-15-17-7-3-1-4-8-17)21-13-19-11-12-20(14-22(19)29-24(21)27)28-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,25,26).
What are the key properties of N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide?
N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-7-phenylmethoxychromene-3-carboxamide is sourced from PubChem (CID 42618016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).