N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide

C20H24ClNO2 — CID 13232221

IUPACN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
SMILESCCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-5-18(24-17-11-14(2)19(21)15(3)12-17)20(23)22(4)13-16-9-7-6-8-10-16/h6-12,18H,5,13H2,1-4H3
InChIKeyLBGPWFFPVUURKS-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.77
Rot. Bonds6

About N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide

N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide (PubChem CID 13232221) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
PubChem CID13232221
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC NameN-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
SMILESCCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-5-18(24-17-11-14(2)19(21)15(3)12-17)20(23)22(4)13-16-9-7-6-8-10-16/h6-12,18H,5,13H2,1-4H3
InChIKeyLBGPWFFPVUURKS-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 94016620
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
CID 132651221
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 99954741

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide?
The IUPAC name of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide (CID 13232221) is N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide?
The canonical SMILES for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide is CCC(Oc1cc(C)c(Cl)c(C)c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide?
The InChIKey is LBGPWFFPVUURKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-18(24-17-11-14(2)19(21)15(3)12-17)20(23)22(4)13-16-9-7-6-8-10-16/h6-12,18H,5,13H2,1-4H3.
What are the key properties of N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide?
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide has a molecular weight of 345.87 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 13232221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).