N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide

C13H18ClNO2 — CID 56922590

IUPACN-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)12(16)15-8-9-17-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyZAYMRUPRJXFGJA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide

N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide (PubChem CID 56922590) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
PubChem CID56922590
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)12(16)15-8-9-17-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyZAYMRUPRJXFGJA-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide 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

N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 82109933
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide (CID 56922590) is N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide?
The InChIKey is ZAYMRUPRJXFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)12(16)15-8-9-17-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide has a molecular weight of 255.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56922590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).