2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide

C19H23ClN2O2 — CID 60505360

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)NCCOc1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-15(16-7-6-8-17(20)13-16)22(2)14-19(23)21-11-12-24-18-9-4-3-5-10-18/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyPDPHKXRZXMHZGL-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.53
Rot. Bonds8

About 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide

2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide (PubChem CID 60505360) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
PubChem CID60505360
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)NCCOc1ccccc1
InChIInChI=1S/C19H23ClN2O2/c1-15(16-7-6-8-17(20)13-16)22(2)14-19(23)21-11-12-24-18-9-4-3-5-10-18/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23)
InChIKeyPDPHKXRZXMHZGL-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl-[(1S)-1-(3-pyridin-4-ylphenyl)ethyl]amino]acetamide
CID 97256758
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014789
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
3-(3-chlorophenyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 45193216
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456679
2-(diethylamino)-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060147
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide (CID 60505360) is 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide is CC(c1cccc(Cl)c1)N(C)CC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide?
The InChIKey is PDPHKXRZXMHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-15(16-7-6-8-17(20)13-16)22(2)14-19(23)21-11-12-24-18-9-4-3-5-10-18/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide?
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60505360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).