N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide

C18H27ClN2O2 — CID 112977193

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H27ClN2O2/c1-4-15-7-5-6-9-21(15)18(22)20-8-10-23-16-11-13(2)17(19)14(3)12-16/h11-12,15H,4-10H2,1-3H3,(H,20,22)
InChIKeyGGANUUPJJACEDH-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide (PubChem CID 112977193) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
PubChem CID112977193
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H27ClN2O2/c1-4-15-7-5-6-9-21(15)18(22)20-8-10-23-16-11-13(2)17(19)14(3)12-16/h11-12,15H,4-10H2,1-3H3,(H,20,22)
InChIKeyGGANUUPJJACEDH-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668
2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
CID 113103032
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide (CID 112977193) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)NCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
The InChIKey is GGANUUPJJACEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-4-15-7-5-6-9-21(15)18(22)20-8-10-23-16-11-13(2)17(19)14(3)12-16/h11-12,15H,4-10H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide has a molecular weight of 338.88 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 112977193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).