2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide

C15H20Cl2N2O2 — CID 108994371

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C15H20Cl2N2O2/c16-12-4-3-11(14(17)8-12)5-6-18-10-15(20)19-9-13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyJHLYLIPTVRHVCG-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 108994371) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID108994371
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C15H20Cl2N2O2/c16-12-4-3-11(14(17)8-12)5-6-18-10-15(20)19-9-13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7,9-10H2,(H,19,20)
InChIKeyJHLYLIPTVRHVCG-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)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

N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
6-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153660
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 133200042
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1276390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 108994371) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CNCCc1ccc(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JHLYLIPTVRHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-12-4-3-11(14(17)8-12)5-6-18-10-15(20)19-9-13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7,9-10H2,(H,19,20).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 331.24 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 108994371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).