2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide

C25H21NO4 — CID 1221790

IUPAC2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1
InChIInChI=1S/C25H21NO4/c1-16-10-11-22(17(2)12-16)29-15-24(27)26-20-8-5-7-18(13-20)21-14-19-6-3-4-9-23(19)30-25(21)28/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyHJTQXFCFTXLPLE-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.09
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide

2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 1221790) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID1221790
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1
InChIInChI=1S/C25H21NO4/c1-16-10-11-22(17(2)12-16)29-15-24(27)26-20-8-5-7-18(13-20)21-14-19-6-3-4-9-23(19)30-25(21)28/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyHJTQXFCFTXLPLE-UHFFFAOYSA-N
XLogP5.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.09
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

N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 1364193
2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
CID 23966257
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide (CID 1221790) is 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is HJTQXFCFTXLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-16-10-11-22(17(2)12-16)29-15-24(27)26-20-8-5-7-18(13-20)21-14-19-6-3-4-9-23(19)30-25(21)28/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 1221790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).