N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide

C25H27NO4 — CID 9317092

IUPACN-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCc1oc2cc(OCC(=O)NC3CCCCCC3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C25H27NO4/c1-17-24(18-9-5-4-6-10-18)25(28)21-14-13-20(15-22(21)30-17)29-16-23(27)26-19-11-7-2-3-8-12-19/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16H2,1H3,(H,26,27)
InChIKeyJLHOPSWGJRLZAU-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.99
Rot. Bonds5

About N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide

N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 9317092) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID9317092
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESCc1oc2cc(OCC(=O)NC3CCCCCC3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C25H27NO4/c1-17-24(18-9-5-4-6-10-18)25(28)21-14-13-20(15-22(21)30-17)29-16-23(27)26-19-11-7-2-3-8-12-19/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16H2,1H3,(H,26,27)
InChIKeyJLHOPSWGJRLZAU-UHFFFAOYSA-N
XLogP4.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24581990
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-propylacetamide
CID 41290706
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 41290711
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 9317092) is N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide is Cc1oc2cc(OCC(=O)NC3CCCCCC3)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is JLHOPSWGJRLZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-17-24(18-9-5-4-6-10-18)25(28)21-14-13-20(15-22(21)30-17)29-16-23(27)26-19-11-7-2-3-8-12-19/h4-6,9-10,13-15,19H,2-3,7-8,11-12,16H2,1H3,(H,26,27).
What are the key properties of N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide?
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 405.49 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 9317092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).