2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide

C26H23NO4 — CID 42618010

IUPAC2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
InChIInChI=1S/C26H23NO4/c1-17(2)19-8-11-21(12-9-19)27-25(28)23-14-20-10-13-22(15-24(20)31-26(23)29)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyNOWKVFZIFYZZQO-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.75
Rot. Bonds6

About 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide

2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide (PubChem CID 42618010) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
PubChem CID42618010
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
InChIInChI=1S/C26H23NO4/c1-17(2)19-8-11-21(12-9-19)27-25(28)23-14-20-10-13-22(15-24(20)31-26(23)29)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyNOWKVFZIFYZZQO-UHFFFAOYSA-N
XLogP5.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.75
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 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide (CID 42618010) is 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide is CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1.
What is the InChIKey of 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The InChIKey is NOWKVFZIFYZZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-17(2)19-8-11-21(12-9-19)27-25(28)23-14-20-10-13-22(15-24(20)31-26(23)29)30-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H,27,28).
What are the key properties of 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-phenylmethoxy-N-(4-propan-2-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 42618010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).