N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

C20H24ClNO3 — CID 55898481

IUPACN-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CCCOc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H24ClNO3/c1-15-5-6-16(13-19(15)24-3)14-20(23)22(2)11-4-12-25-18-9-7-17(21)8-10-18/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyFJIXNPVVNYXDDY-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.13
Rot. Bonds8

About N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide

N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (PubChem CID 55898481) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
PubChem CID55898481
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
SMILESCOc1cc(CC(=O)N(C)CCCOc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C20H24ClNO3/c1-15-5-6-16(13-19(15)24-3)14-20(23)22(2)11-4-12-25-18-9-7-17(21)8-10-18/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyFJIXNPVVNYXDDY-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
2-(4-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylacetamide;hydrochloride
CID 119820802
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520
(2S)-2-amino-N-[3-(4-chlorophenoxy)propyl]-3-(4-methoxyphenyl)-N-methylpropanamide;hydrochloride
CID 154912325
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide (CID 55898481) is N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is COc1cc(CC(=O)N(C)CCCOc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
The InChIKey is FJIXNPVVNYXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-15-5-6-16(13-19(15)24-3)14-20(23)22(2)11-4-12-25-18-9-7-17(21)8-10-18/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide?
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide has a molecular weight of 361.87 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 55898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).