N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C15H21Cl2N3O2 — CID 24589283

IUPACN-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-10(2)18-14(22)9-20(3)8-7-13(21)19-15-11(16)5-4-6-12(15)17/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyUSIAGTFKGWSKSO-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.78
Rot. Bonds7

About N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 24589283) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID24589283
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-10(2)18-14(22)9-20(3)8-7-13(21)19-15-11(16)5-4-6-12(15)17/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyUSIAGTFKGWSKSO-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113115297
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
N-(2,6-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 51225789
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
2-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55411232
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
methyl 4-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62012884
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 24589283) is N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is CC(C)NC(=O)CN(C)CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is USIAGTFKGWSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-10(2)18-14(22)9-20(3)8-7-13(21)19-15-11(16)5-4-6-12(15)17/h4-6,10H,7-9H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 346.26 g/mol, XLogP of 2.78, 7 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-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 24589283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).