2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide

C15H17NO3 — CID 40805355

IUPAC2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2c(CC(=O)NC(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H17NO3/c1-9(2)16-14(17)7-11-8-15(18)19-13-6-10(3)4-5-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyDXMTUWJMTHEBHX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds3

About 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide

2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide (PubChem CID 40805355) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
PubChem CID40805355
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2c(CC(=O)NC(C)C)cc(=O)oc2c1
InChIInChI=1S/C15H17NO3/c1-9(2)16-14(17)7-11-8-15(18)19-13-6-10(3)4-5-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyDXMTUWJMTHEBHX-UHFFFAOYSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
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)acetate
CID 4257034
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
3-(7-methyl-2-oxochromen-4-yl)-2-oxopropanoic acid
CID 12820491
N-(4,4-difluorocyclohexyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909746
2-(7-methyl-2-oxochromen-4-yl)-N-(2-phenylethyl)acetamide
CID 41180238
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290
4-[[2-hydroxypropyl(methyl)amino]methyl]-7-methylchromen-2-one
CID 55061028
N-(2-methyl-5-methylsulfonylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 171909711
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
2-methyl-2-[(7-methyl-2-oxochromen-4-yl)methylamino]butanoic acid
CID 79788878
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide (CID 40805355) is 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide is Cc1ccc2c(CC(=O)NC(C)C)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide?
The InChIKey is DXMTUWJMTHEBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9(2)16-14(17)7-11-8-15(18)19-13-6-10(3)4-5-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide?
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide has a molecular weight of 259.31 g/mol, XLogP of 2.17, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 40805355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).