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

C17H26ClN3O2 — CID 113123194

IUPAC3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)CCc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-14(22)21(10-7-15-5-4-6-16(18)13-15)11-8-17(23)19-9-12-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,19,23)
InChIKeyKNOMWMGLBNVFQZ-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.80
Rot. Bonds9

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

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113123194) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113123194
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)CCc1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O2/c1-14(22)21(10-7-15-5-4-6-16(18)13-15)11-8-17(23)19-9-12-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,19,23)
InChIKeyKNOMWMGLBNVFQZ-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 4139238
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
CID 113057065
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113057088
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 113123194) is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)CCc1cccc(Cl)c1.
What is the InChIKey of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is KNOMWMGLBNVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-14(22)21(10-7-15-5-4-6-16(18)13-15)11-8-17(23)19-9-12-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,19,23).
What are the key properties of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113123194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).