2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide

C21H21NO4 — CID 42506836

IUPAC2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
SMILESCOCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C21H21NO4/c1-13(2)14-4-6-15(7-5-14)20-11-18(23)17-10-16(8-9-19(17)26-20)22-21(24)12-25-3/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyAEGVREWBQWILDB-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.17
Rot. Bonds5

About 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide

2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide (PubChem CID 42506836) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
PubChem CID42506836
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
SMILESCOCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C21H21NO4/c1-13(2)14-4-6-15(7-5-14)20-11-18(23)17-10-16(8-9-19(17)26-20)22-21(24)12-25-3/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyAEGVREWBQWILDB-UHFFFAOYSA-N
XLogP4.17
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
CID 42571450
4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
CID 27532654
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730722
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 95397951
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide
CID 23735340
N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274171
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 29135484
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide (CID 42506836) is 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide is COCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1.
What is the InChIKey of 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide?
The InChIKey is AEGVREWBQWILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13(2)14-4-6-15(7-5-14)20-11-18(23)17-10-16(8-9-19(17)26-20)22-21(24)12-25-3/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide?
2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide is sourced from PubChem (CID 42506836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).