3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide

C15H21Cl2N3O2 — CID 113117624

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)ccc1Cl)CCN(C)C
InChIInChI=1S/C15H21Cl2N3O2/c1-11(21)20(9-8-19(2)3)7-6-15(22)18-14-10-12(16)4-5-13(14)17/h4-5,10H,6-9H2,1-3H3,(H,18,22)
InChIKeyYZLYHGSJIWTMPN-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.73
Rot. Bonds7

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 113117624) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID113117624
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(Cl)ccc1Cl)CCN(C)C
InChIInChI=1S/C15H21Cl2N3O2/c1-11(21)20(9-8-19(2)3)7-6-15(22)18-14-10-12(16)4-5-13(14)17/h4-5,10H,6-9H2,1-3H3,(H,18,22)
InChIKeyYZLYHGSJIWTMPN-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)propanamide
CID 113117622
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
methyl 3-[3-[acetyl(propyl)amino]propanoylamino]-4-chlorobenzoate
CID 113115063
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide (CID 113117624) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(Cl)ccc1Cl)CCN(C)C.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is YZLYHGSJIWTMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-11(21)20(9-8-19(2)3)7-6-15(22)18-14-10-12(16)4-5-13(14)17/h4-5,10H,6-9H2,1-3H3,(H,18,22).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 346.26 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 113117624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).