N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide

C24H20N2O3 — CID 3963313

IUPACN-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2)c1
InChIInChI=1S/C24H20N2O3/c1-16-10-12-18(13-11-16)26-24-21(14-17-6-3-4-9-22(17)29-24)23(27)25-19-7-5-8-20(15-19)28-2/h3-15H,1-2H3,(H,25,27)/b26-24-
InChIKeyYLPMNZLWZNCTAH-LCUIJRPUSA-N
MW384.44 g/mol
LogP5.23
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide

N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide (PubChem CID 3963313) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
PubChem CID3963313
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2)c1
InChIInChI=1S/C24H20N2O3/c1-16-10-12-18(13-11-16)26-24-21(14-17-6-3-4-9-22(17)29-24)23(27)25-19-7-5-8-20(15-19)28-2/h3-15H,1-2H3,(H,25,27)/b26-24-
InChIKeyYLPMNZLWZNCTAH-LCUIJRPUSA-N
XLogP5.23
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide (CID 3963313) is N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide is COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is YLPMNZLWZNCTAH-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-10-12-18(13-11-16)26-24-21(14-17-6-3-4-9-22(17)29-24)23(27)25-19-7-5-8-20(15-19)28-2/h3-15H,1-2H3,(H,25,27)/b26-24-.
What are the key properties of N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide?
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3963313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).