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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 26072070
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590864
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704

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).