N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride

C18H31Cl4N3O — CID 24843817

IUPACN-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride
SMILESCCN(CC)CC(C(=O)Nc1c(C)cc(Cl)cc1Cl)N(CC)CC.Cl.Cl
InChIInChI=1S/C18H29Cl2N3O.2ClH/c1-6-22(7-2)12-16(23(8-3)9-4)18(24)21-17-13(5)10-14(19)11-15(17)20;;/h10-11,16H,6-9,12H2,1-5H3,(H,21,24);2*1H
InChIKeyRFDTYOSWSWURMG-UHFFFAOYSA-N
MW447.28 g/mol
LogP5.14
Rot. Bonds9

About N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride

N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride (PubChem CID 24843817) has the molecular formula C18H31Cl4N3O and a molecular weight of 447.28 g/mol. Its IUPAC name is N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride
PubChem CID24843817
Molecular FormulaC18H31Cl4N3O
Molecular Weight447.28 g/mol
Exact Mass445.12
IUPAC NameN-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride
SMILESCCN(CC)CC(C(=O)Nc1c(C)cc(Cl)cc1Cl)N(CC)CC.Cl.Cl
InChIInChI=1S/C18H29Cl2N3O.2ClH/c1-6-22(7-2)12-16(23(8-3)9-4)18(24)21-17-13(5)10-14(19)11-15(17)20;;/h10-11,16H,6-9,12H2,1-5H3,(H,21,24);2*1H
InChIKeyRFDTYOSWSWURMG-UHFFFAOYSA-N
XLogP5.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2,3-bis(diethylamino)propanoylamino]-3-methylbenzoate
CID 24847042
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 160515011
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
CID 159771868
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
CID 163984215
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
(2S)-2-(diethylamino)-5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(2,6-dimethylphenyl)pentanamide
CID 59870453
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride?
The IUPAC name of N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride (CID 24843817) is N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride is CCN(CC)CC(C(=O)Nc1c(C)cc(Cl)cc1Cl)N(CC)CC.Cl.Cl.
What is the InChIKey of N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride?
The InChIKey is RFDTYOSWSWURMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl2N3O.2ClH/c1-6-22(7-2)12-16(23(8-3)9-4)18(24)21-17-13(5)10-14(19)11-15(17)20;;/h10-11,16H,6-9,12H2,1-5H3,(H,21,24);2*1H.
What are the key properties of N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride?
N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride has a molecular weight of 447.28 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride is sourced from PubChem (CID 24843817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).