N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide

C14H21ClN2O2 — CID 54868859

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-16-9-3-4-14(18)17(2)10-11-19-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyUSHQWAIOILSNEP-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 54868859) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
PubChem CID54868859
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-16-9-3-4-14(18)17(2)10-11-19-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyUSHQWAIOILSNEP-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
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

4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
tert-butyl N-[4-[2-(4-chlorophenoxy)ethyl-methylamino]-4-oxobutyl]carbamate
CID 55406068
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119739919
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide (CID 54868859) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is USHQWAIOILSNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-16-9-3-4-14(18)17(2)10-11-19-13-7-5-12(15)6-8-13/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 54868859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).