2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide

C22H23NO4 — CID 19191726

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12
InChIInChI=1S/C22H23NO4/c1-13(2)17-7-5-6-8-19(17)23-22(25)15(4)26-16-9-10-18-14(3)11-21(24)27-20(18)12-16/h5-13,15H,1-4H3,(H,23,25)
InChIKeyUIPUUIIHEWMHIQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 19191726) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
PubChem CID19191726
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12
InChIInChI=1S/C22H23NO4/c1-13(2)17-7-5-6-8-19(17)23-22(25)15(4)26-16-9-10-18-14(3)11-21(24)27-20(18)12-16/h5-13,15H,1-4H3,(H,23,25)
InChIKeyUIPUUIIHEWMHIQ-UHFFFAOYSA-N
XLogP4.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1177917
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 46633778
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-(3,4-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 53266174
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide (CID 19191726) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccc3C(C)C)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is UIPUUIIHEWMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13(2)17-7-5-6-8-19(17)23-22(25)15(4)26-16-9-10-18-14(3)11-21(24)27-20(18)12-16/h5-13,15H,1-4H3,(H,23,25).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 19191726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).