N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide

C20H23F2NO3 — CID 46469859

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C20H23F2NO3/c1-14-6-3-8-17(12-14)25-11-5-10-19(24)23-15(2)16-7-4-9-18(13-16)26-20(21)22/h3-4,6-9,12-13,15,20H,5,10-11H2,1-2H3,(H,23,24)
InChIKeyYAHLAWJZMBENQT-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.63
Rot. Bonds9

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide (PubChem CID 46469859) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
PubChem CID46469859
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC(C)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C20H23F2NO3/c1-14-6-3-8-17(12-14)25-11-5-10-19(24)23-15(2)16-7-4-9-18(13-16)26-20(21)22/h3-4,6-9,12-13,15,20H,5,10-11H2,1-2H3,(H,23,24)
InChIKeyYAHLAWJZMBENQT-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide (CID 46469859) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NC(C)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is YAHLAWJZMBENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-14-6-3-8-17(12-14)25-11-5-10-19(24)23-15(2)16-7-4-9-18(13-16)26-20(21)22/h3-4,6-9,12-13,15,20H,5,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 363.40 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 46469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).