2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide

C19H29ClN2O2 — CID 25236012

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
SMILESCCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C19H29ClN2O2/c1-5-17(24-16-11-13(3)18(20)14(4)12-16)19(23)21-15-7-9-22(6-2)10-8-15/h11-12,15,17H,5-10H2,1-4H3,(H,21,23)
InChIKeyVSOPKJPDCIAHED-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.71
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide (PubChem CID 25236012) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
PubChem CID25236012
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
SMILESCCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C19H29ClN2O2/c1-5-17(24-16-11-13(3)18(20)14(4)12-16)19(23)21-15-7-9-22(6-2)10-8-15/h11-12,15,17H,5-10H2,1-4H3,(H,21,23)
InChIKeyVSOPKJPDCIAHED-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565024
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide (CID 25236012) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide is CCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CCN(CC)CC1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The InChIKey is VSOPKJPDCIAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-5-17(24-16-11-13(3)18(20)14(4)12-16)19(23)21-15-7-9-22(6-2)10-8-15/h11-12,15,17H,5-10H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide has a molecular weight of 352.91 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 25236012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).