N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide

C20H18N2O4 — CID 17494612

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-21-20(25)17-10-15(23)14-8-3-4-9-16(14)26-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAHDIUPPJXQABTP-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide (PubChem CID 17494612) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
PubChem CID17494612
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-21-20(25)17-10-15(23)14-8-3-4-9-16(14)26-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAHDIUPPJXQABTP-UHFFFAOYSA-N
XLogP2.78
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide (CID 17494612) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The InChIKey is AHDIUPPJXQABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-6-5-7-13(2)19(12)22-18(24)11-21-20(25)17-10-15(23)14-8-3-4-9-16(14)26-17/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17494612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).