N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide

C25H30FNO4 — CID 122658397

IUPACN-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1
InChIInChI=1S/C25H30FNO4/c1-29-15-14-25(28)27-18-7-9-19(10-8-18)30-20-11-13-23-17(16-20)6-12-24(31-23)21-4-2-3-5-22(21)26/h2-5,11,13,16,18-19,24H,6-10,12,14-15H2,1H3,(H,27,28)
InChIKeyLAPIIDCLCQQKHN-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.73
Rot. Bonds7

About N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide

N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide (PubChem CID 122658397) has the molecular formula C25H30FNO4 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
PubChem CID122658397
Molecular FormulaC25H30FNO4
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC NameN-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1
InChIInChI=1S/C25H30FNO4/c1-29-15-14-25(28)27-18-7-9-19(10-8-18)30-20-11-13-23-17(16-20)6-12-24(31-23)21-4-2-3-5-22(21)26/h2-5,11,13,16,18-19,24H,6-10,12,14-15H2,1H3,(H,27,28)
InChIKeyLAPIIDCLCQQKHN-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-2-methylsulfanylacetamide
CID 122658465
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(3-methoxypropyl)cyclohexan-1-amine
CID 122658257
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1-methoxybutan-2-yl)cyclohexan-1-amine
CID 122658187
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 122658307
[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexanecarbonyl] 4-[[2-(3-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxylate
CID 90390107
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
CID 122658253
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 122658425
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 78319950
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
N-[(2-ethylpyrazol-3-yl)methyl]-4-[[2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxamide
CID 142771440

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide (CID 122658397) is N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide is COCCC(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2F)O3)CC1.
What is the InChIKey of N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide?
The InChIKey is LAPIIDCLCQQKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FNO4/c1-29-15-14-25(28)27-18-7-9-19(10-8-18)30-20-11-13-23-17(16-20)6-12-24(31-23)21-4-2-3-5-22(21)26/h2-5,11,13,16,18-19,24H,6-10,12,14-15H2,1H3,(H,27,28).
What are the key properties of N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide?
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide has a molecular weight of 427.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide is sourced from PubChem (CID 122658397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).