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

C20H19NO4 — CID 42888911

IUPACN-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)c(C)c1
InChIInChI=1S/C20H19NO4/c1-12-4-8-17(13(2)10-12)21-20(23)14(3)24-16-7-5-15-6-9-19(22)25-18(15)11-16/h4-11,14H,1-3H3,(H,21,23)
InChIKeyUWYABBCPHWKPBK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.82
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 42888911) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID42888911
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)c(C)c1
InChIInChI=1S/C20H19NO4/c1-12-4-8-17(13(2)10-12)21-20(23)14(3)24-16-7-5-15-6-9-19(22)25-18(15)11-16/h4-11,14H,1-3H3,(H,21,23)
InChIKeyUWYABBCPHWKPBK-UHFFFAOYSA-N
XLogP3.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.82
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

(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 42941413
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2-oxochromen-7-yl) (2S)-2-(3-methylphenoxy)propanoate
CID 7920894
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 2407615
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide (CID 42888911) is N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide is Cc1ccc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is UWYABBCPHWKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-12-4-8-17(13(2)10-12)21-20(23)14(3)24-16-7-5-15-6-9-19(22)25-18(15)11-16/h4-11,14H,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide?
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 42888911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).