N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide

C20H24ClNO2 — CID 133240114

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2/c1-4-18(24-19-7-5-6-14(2)15(19)3)20(23)22-13-12-16-8-10-17(21)11-9-16/h5-11,18H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyMTEGHBNHEIRXEH-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.47
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide

N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 133240114) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
PubChem CID133240114
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO2/c1-4-18(24-19-7-5-6-14(2)15(19)3)20(23)22-13-12-16-8-10-17(21)11-9-16/h5-11,18H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyMTEGHBNHEIRXEH-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 38003536
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 46771366
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide (CID 133240114) is N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide is CCC(Oc1cccc(C)c1C)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is MTEGHBNHEIRXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-4-18(24-19-7-5-6-14(2)15(19)3)20(23)22-13-12-16-8-10-17(21)11-9-16/h5-11,18H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 345.87 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 133240114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).