2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide

C20H25ClN2O2 — CID 71229917

IUPAC2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1Cl)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C20H25ClN2O2/c1-5-18(25-19-10-9-14(2)11-17(19)21)20(24)22-13-15-7-6-8-16(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)
InChIKeyZSMYHAJUEWSVIW-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.19
Rot. Bonds7

About 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide

2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide (PubChem CID 71229917) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
PubChem CID71229917
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(C)cc1Cl)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C20H25ClN2O2/c1-5-18(25-19-10-9-14(2)11-17(19)21)20(24)22-13-15-7-6-8-16(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24)
InChIKeyZSMYHAJUEWSVIW-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide (CID 71229917) is 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide is CCC(Oc1ccc(C)cc1Cl)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide?
The InChIKey is ZSMYHAJUEWSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-5-18(25-19-10-9-14(2)11-17(19)21)20(24)22-13-15-7-6-8-16(12-15)23(3)4/h6-12,18H,5,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide?
2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide has a molecular weight of 360.89 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide is sourced from PubChem (CID 71229917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).