3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide

C26H22N2O4 — CID 167935390

IUPAC3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCNC(=O)c1cc(C)ccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C26H22N2O4/c1-15-12-13-21(20(14-15)25(30)27-3)28-26(31)19-11-7-10-18-22(29)16(2)23(32-24(18)19)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,27,30)(H,28,31)
InChIKeyWZFXDITVNABBOT-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.69
Rot. Bonds4

About 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide

3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 167935390) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID167935390
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCNC(=O)c1cc(C)ccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C26H22N2O4/c1-15-12-13-21(20(14-15)25(30)27-3)28-26(31)19-11-7-10-18-22(29)16(2)23(32-24(18)19)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,27,30)(H,28,31)
InChIKeyWZFXDITVNABBOT-UHFFFAOYSA-N
XLogP4.69
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide (CID 167935390) is 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide is CNC(=O)c1cc(C)ccc1NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is WZFXDITVNABBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-15-12-13-21(20(14-15)25(30)27-3)28-26(31)19-11-7-10-18-22(29)16(2)23(32-24(18)19)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 167935390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).