2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide

C15H22ClN3O3 — CID 108573295

IUPAC2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3/c1-3-19(4-2)15(21)18-10-9-17-14(20)11-22-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHFTGTFMIRKFMFH-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.89
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide (PubChem CID 108573295) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
PubChem CID108573295
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
SMILESCCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3/c1-3-19(4-2)15(21)18-10-9-17-14(20)11-22-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyHFTGTFMIRKFMFH-UHFFFAOYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide 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-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide (CID 108573295) is 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide is CCN(CC)C(=O)NCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
The InChIKey is HFTGTFMIRKFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-3-19(4-2)15(21)18-10-9-17-14(20)11-22-13-7-5-12(16)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide has a molecular weight of 327.81 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 108573295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).