2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide

C26H23NO4 — CID 30309342

IUPAC2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23NO4/c1-17-15-19(27-25(29)26(2,3)31-20-10-5-4-6-11-20)13-14-21(17)22-16-18-9-7-8-12-23(18)30-24(22)28/h4-16H,1-3H3,(H,27,29)
InChIKeyZCNOWFSUVGAHBF-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.56
Rot. Bonds5

About 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide

2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide (PubChem CID 30309342) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
PubChem CID30309342
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C26H23NO4/c1-17-15-19(27-25(29)26(2,3)31-20-10-5-4-6-11-20)13-14-21(17)22-16-18-9-7-8-12-23(18)30-24(22)28/h4-16H,1-3H3,(H,27,29)
InChIKeyZCNOWFSUVGAHBF-UHFFFAOYSA-N
XLogP5.56
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.56
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

3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
CID 91688943
N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
CID 163122610
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamoyl]-N-sulfanylbenzamide
CID 87482746
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]prop-2-enamide
CID 17317254
(E)-3-(4-chloro-3-nitrophenyl)-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]prop-2-enamide
CID 17111521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide (CID 30309342) is 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide is Cc1cc(NC(=O)C(C)(C)Oc2ccccc2)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is ZCNOWFSUVGAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-17-15-19(27-25(29)26(2,3)31-20-10-5-4-6-11-20)13-14-21(17)22-16-18-9-7-8-12-23(18)30-24(22)28/h4-16H,1-3H3,(H,27,29).
What are the key properties of 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide?
2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 413.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 30309342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).