4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide

C19H27F2NO3 — CID 55656409

IUPAC4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCC2CCCCC2)cc1OC(F)F
InChIInChI=1S/C19H27F2NO3/c1-24-16-11-10-15(12-17(16)25-19(20)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h10-12,14,19H,2-9,13H2,1H3,(H,22,23)
InChIKeyRKFXUDIXTIJIJM-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.66
Rot. Bonds9

About 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide

4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide (PubChem CID 55656409) has the molecular formula C19H27F2NO3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
PubChem CID55656409
Molecular FormulaC19H27F2NO3
Molecular Weight355.42 g/mol
Exact Mass355.20
IUPAC Name4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCC2CCCCC2)cc1OC(F)F
InChIInChI=1S/C19H27F2NO3/c1-24-16-11-10-15(12-17(16)25-19(20)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h10-12,14,19H,2-9,13H2,1H3,(H,22,23)
InChIKeyRKFXUDIXTIJIJM-UHFFFAOYSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
1-(cyclopentylmethyl)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 86869175
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 9261752

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide (CID 55656409) is 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide is COc1ccc(CNC(=O)CCCC2CCCCC2)cc1OC(F)F.
What is the InChIKey of 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The InChIKey is RKFXUDIXTIJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO3/c1-24-16-11-10-15(12-17(16)25-19(20)21)13-22-18(23)9-5-8-14-6-3-2-4-7-14/h10-12,14,19H,2-9,13H2,1H3,(H,22,23).
What are the key properties of 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide has a molecular weight of 355.42 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide is sourced from PubChem (CID 55656409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).