2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide

C20H25ClN2O2 — CID 60507371

IUPAC2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H25ClN2O2/c1-15-5-10-19(16(2)13-15)22-20(24)14-23(3)11-4-12-25-18-8-6-17(21)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyGLKXSXMERLQIQV-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.30
Rot. Bonds8

About 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide

2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 60507371) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID60507371
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C20H25ClN2O2/c1-15-5-10-19(16(2)13-15)22-20(24)14-23(3)11-4-12-25-18-8-6-17(21)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyGLKXSXMERLQIQV-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012302
2-[3-aminopropyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 81492824
N-(4-chloro-2-methylphenyl)-3-(4-methylphenoxy)propanamide
CID 7914785
N-(4-chloro-2-methylphenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204090
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 46801872
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18094899
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide (CID 60507371) is 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CCCOc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is GLKXSXMERLQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-15-5-10-19(16(2)13-15)22-20(24)14-23(3)11-4-12-25-18-8-6-17(21)7-9-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 360.89 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 60507371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).