4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide

C14H21ClN2O2 — CID 81075390

IUPAC4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-11(10-16)9-14(18)17(2)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3
InChIKeyOSZZBKRDCSUDKZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.16
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide

4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide (PubChem CID 81075390) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
PubChem CID81075390
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-11(10-16)9-14(18)17(2)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3
InChIKeyOSZZBKRDCSUDKZ-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide (CID 81075390) is 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide?
The InChIKey is OSZZBKRDCSUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(10-16)9-14(18)17(2)7-8-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide?
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 81075390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).