N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide

C25H26FNO4 — CID 7440373

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C25H26FNO4/c1-15-4-3-5-22(16(15)2)27-24(28)14-30-19-10-11-20-23(12-19)31-13-21(25(20)29)17-6-8-18(26)9-7-17/h6-13,15-16,22H,3-5,14H2,1-2H3,(H,27,28)/t15-,16+,22+/m1/s1
InChIKeyIZTVWXJSZQAIMY-VVBPWWLESA-N
MW423.48 g/mol
LogP4.92
Rot. Bonds5

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 7440373) has the molecular formula C25H26FNO4 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide
PubChem CID7440373
Molecular FormulaC25H26FNO4
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1
InChIInChI=1S/C25H26FNO4/c1-15-4-3-5-22(16(15)2)27-24(28)14-30-19-10-11-20-23(12-19)31-13-21(25(20)29)17-6-8-18(26)9-7-17/h6-13,15-16,22H,3-5,14H2,1-2H3,(H,27,28)/t15-,16+,22+/m1/s1
InChIKeyIZTVWXJSZQAIMY-VVBPWWLESA-N
XLogP4.92
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide with MolForge

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Related Compounds

N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
2-[3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 129377571
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453
N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide
CID 5079873
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
2-[4-[7-(cyclohexylmethoxy)-4-oxochromen-3-yl]phenoxy]acetic acid
CID 142669564

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide (CID 7440373) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is IZTVWXJSZQAIMY-VVBPWWLESA-N. The full InChI is InChI=1S/C25H26FNO4/c1-15-4-3-5-22(16(15)2)27-24(28)14-30-19-10-11-20-23(12-19)31-13-21(25(20)29)17-6-8-18(26)9-7-17/h6-13,15-16,22H,3-5,14H2,1-2H3,(H,27,28)/t15-,16+,22+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 423.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 7440373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).