N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide

C14H21ClN2O2 — CID 79282652

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-11(12-5-4-6-13(15)9-12)17(2)14(18)10-16-7-8-19-3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyNPUBWSYHZVVOCJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.10
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide

N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 79282652) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID79282652
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-11(12-5-4-6-13(15)9-12)17(2)14(18)10-16-7-8-19-3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyNPUBWSYHZVVOCJ-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide 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-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 119704976
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
N-[1-(3-chlorophenyl)ethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62836468
N-[1-(3-chlorophenyl)ethyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62852041
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
CID 134053894

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 79282652) is N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is NPUBWSYHZVVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(12-5-4-6-13(15)9-12)17(2)14(18)10-16-7-8-19-3/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 79282652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).