N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C21H21NO4 — CID 19191724

IUPACN-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-12-6-5-7-13(2)20(12)22-21(24)15(4)25-16-8-9-17-14(3)10-19(23)26-18(17)11-16/h5-11,15H,1-4H3,(H,22,24)
InChIKeyJVPRPRZYUXDIAD-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.12
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 19191724) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID19191724
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-12-6-5-7-13(2)20(12)22-21(24)15(4)25-16-8-9-17-14(3)10-19(23)26-18(17)11-16/h5-11,15H,1-4H3,(H,22,24)
InChIKeyJVPRPRZYUXDIAD-UHFFFAOYSA-N
XLogP4.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.12
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
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
(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
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
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
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 19191724) is N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cccc(C)c1NC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is JVPRPRZYUXDIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-12-6-5-7-13(2)20(12)22-21(24)15(4)25-16-8-9-17-14(3)10-19(23)26-18(17)11-16/h5-11,15H,1-4H3,(H,22,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 351.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 19191724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).