N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide

C17H25Cl2N3O2 — CID 87018474

IUPACN-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
SMILESCCCNC(=O)CN(CCC)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H25Cl2N3O2/c1-3-9-20-16(24)12-22(10-4-2)11-8-15(23)21-17-13(18)6-5-7-14(17)19/h5-7H,3-4,8-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOAVUQPXDALMWIE-UHFFFAOYSA-N
MW374.31 g/mol
LogP3.56
Rot. Bonds10

About N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide

N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide (PubChem CID 87018474) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
PubChem CID87018474
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
SMILESCCCNC(=O)CN(CCC)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H25Cl2N3O2/c1-3-9-20-16(24)12-22(10-4-2)11-8-15(23)21-17-13(18)6-5-7-14(17)19/h5-7H,3-4,8-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyOAVUQPXDALMWIE-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
CID 87018436
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 119921476

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide (CID 87018474) is N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide is CCCNC(=O)CN(CCC)CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide?
The InChIKey is OAVUQPXDALMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O2/c1-3-9-20-16(24)12-22(10-4-2)11-8-15(23)21-17-13(18)6-5-7-14(17)19/h5-7H,3-4,8-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide?
N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide has a molecular weight of 374.31 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide is sourced from PubChem (CID 87018474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).