N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide

C21H21NO4 — CID 29433424

IUPACN-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N(C)c3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c1-14(2)18-12-21(24)26-19-11-16(9-10-17(18)19)25-13-20(23)22(3)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyJKWSOAIQAJDJKN-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide

N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide (PubChem CID 29433424) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
PubChem CID29433424
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N(C)c3ccccc3)ccc12
InChIInChI=1S/C21H21NO4/c1-14(2)18-12-21(24)26-19-11-16(9-10-17(18)19)25-13-20(23)22(3)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyJKWSOAIQAJDJKN-UHFFFAOYSA-N
XLogP3.96
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
CID 18165435
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 112806529
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700608
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-[4-(2-methylpropyl)-2-oxochromen-7-yl]oxyacetic acid
CID 166964172
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7983137

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide (CID 29433424) is N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)N(C)c3ccccc3)ccc12.
What is the InChIKey of N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The InChIKey is JKWSOAIQAJDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14(2)18-12-21(24)26-19-11-16(9-10-17(18)19)25-13-20(23)22(3)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3.
What are the key properties of N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide has a molecular weight of 351.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 29433424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).