N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C21H19NO5 — CID 16544795

IUPACN-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H19NO5/c1-12-10-20(24)27-19-11-17(8-9-18(12)19)26-14(3)21(25)22-16-6-4-15(5-7-16)13(2)23/h4-11,14H,1-3H3,(H,22,25)
InChIKeyTZAZHADPYVBPFX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.71
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 16544795) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID16544795
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H19NO5/c1-12-10-20(24)27-19-11-17(8-9-18(12)19)26-14(3)21(25)22-16-6-4-15(5-7-16)13(2)23/h4-11,14H,1-3H3,(H,22,25)
InChIKeyTZAZHADPYVBPFX-UHFFFAOYSA-N
XLogP3.71
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide 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

4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 26216457
(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1178043
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 16544795) is N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is CC(=O)c1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is TZAZHADPYVBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-12-10-20(24)27-19-11-17(8-9-18(12)19)26-14(3)21(25)22-16-6-4-15(5-7-16)13(2)23/h4-11,14H,1-3H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 365.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 16544795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).