N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide

C18H26F2N2O2 — CID 112805176

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)NCc2ccc(OC(F)F)cc2)C1C
InChIInChI=1S/C18H26F2N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(23)22-10-14-6-8-15(9-7-14)24-18(19)20/h6-9,12-13,16,18,21H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyWKPZPFRJAIWALN-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.32
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide (PubChem CID 112805176) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
PubChem CID112805176
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)NCc2ccc(OC(F)F)cc2)C1C
InChIInChI=1S/C18H26F2N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(23)22-10-14-6-8-15(9-7-14)24-18(19)20/h6-9,12-13,16,18,21H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyWKPZPFRJAIWALN-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
4-(difluoromethoxy)-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide
CID 11919811
2-cyclopentyl-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 134029016
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N'-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-N-[(4-fluorophenyl)methyl]butanediamide
CID 40640694
2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 55698129
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11888799

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide (CID 112805176) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide is CC1CCCC(NCC(=O)NCc2ccc(OC(F)F)cc2)C1C.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The InChIKey is WKPZPFRJAIWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-12-4-3-5-16(13(12)2)21-11-17(23)22-10-14-6-8-15(9-7-14)24-18(19)20/h6-9,12-13,16,18,21H,3-5,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(2,3-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 112805176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).