N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide

C21H25ClN2O3 — CID 113057079

IUPACN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)CCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-17(25)24(13-10-18-6-5-7-19(22)16-18)14-12-23-21(26)11-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyLJDNRFXDVLTQKG-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.32
Rot. Bonds10

About N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide

N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide (PubChem CID 113057079) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
PubChem CID113057079
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)CCc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O3/c1-17(25)24(13-10-18-6-5-7-19(22)16-18)14-12-23-21(26)11-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15H2,1H3,(H,23,26)
InChIKeyLJDNRFXDVLTQKG-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
CID 113057065
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113057088
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide (CID 113057079) is N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide?
The InChIKey is LJDNRFXDVLTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-17(25)24(13-10-18-6-5-7-19(22)16-18)14-12-23-21(26)11-15-27-20-8-3-2-4-9-20/h2-9,16H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide?
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide has a molecular weight of 388.90 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113057079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).