N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide

C23H23NO3 — CID 31832233

IUPACN-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C23H23NO3/c1-5-24(14-15(2)3)23(26)19-13-9-12-18-20(25)16(4)21(27-22(18)19)17-10-7-6-8-11-17/h6-13H,2,5,14H2,1,3-4H3
InChIKeyAMGZDRLFBRIQFU-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.81
Rot. Bonds5

About N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide

N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 31832233) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID31832233
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C23H23NO3/c1-5-24(14-15(2)3)23(26)19-13-9-12-18-20(25)16(4)21(27-22(18)19)17-10-7-6-8-11-17/h6-13H,2,5,14H2,1,3-4H3
InChIKeyAMGZDRLFBRIQFU-UHFFFAOYSA-N
XLogP4.81
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide (CID 31832233) is N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide is C=C(C)CN(CC)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is AMGZDRLFBRIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-5-24(14-15(2)3)23(26)19-13-9-12-18-20(25)16(4)21(27-22(18)19)17-10-7-6-8-11-17/h6-13H,2,5,14H2,1,3-4H3.
What are the key properties of N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide?
N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-methylprop-2-enyl)-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 31832233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).