2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide

C22H23NO4 — CID 75413910

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H23NO4/c1-13-7-5-6-8-18(13)15(3)23-22(25)16(4)26-17-9-10-19-14(2)11-21(24)27-20(19)12-17/h5-12,15-16H,1-4H3,(H,23,25)
InChIKeyCMDBKDMQVBFXPB-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 75413910) 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-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID75413910
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(C)NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C22H23NO4/c1-13-7-5-6-8-18(13)15(3)23-22(25)16(4)26-17-9-10-19-14(2)11-21(24)27-20(19)12-17/h5-12,15-16H,1-4H3,(H,23,25)
InChIKeyCMDBKDMQVBFXPB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967924
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
methyl 2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1177917
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide (CID 75413910) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(C)NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is CMDBKDMQVBFXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-13-7-5-6-8-18(13)15(3)23-22(25)16(4)26-17-9-10-19-14(2)11-21(24)27-20(19)12-17/h5-12,15-16H,1-4H3,(H,23,25).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.05, 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-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 75413910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).