2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide

C20H19NO3 — CID 41180238

IUPAC2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCCc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H19NO3/c1-14-7-8-17-16(13-20(23)24-18(17)11-14)12-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,22)
InChIKeyLHNJMKREHGBVPP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.00
Rot. Bonds5

About 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide

2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 41180238) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID41180238
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCCc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H19NO3/c1-14-7-8-17-16(13-20(23)24-18(17)11-14)12-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,22)
InChIKeyLHNJMKREHGBVPP-UHFFFAOYSA-N
XLogP3.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyl-2-oxochromen-4-yl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 171914096
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
N-[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]ethyl]-3-phenylpropanamide
CID 71665698
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
CID 12820491
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 45172256
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
5-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]pentylcarbamic acid
CID 87148125
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide (CID 41180238) is 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide is Cc1ccc2c(CC(=O)NCCc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LHNJMKREHGBVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-7-8-17-16(13-20(23)24-18(17)11-14)12-19(22)21-10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide?
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 41180238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).