N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide

C21H25Cl2N3O2 — CID 9287102

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-4-18(15-10-8-14(2)9-11-15)24-19(27)12-26(3)13-20(28)25-21-16(22)6-5-7-17(21)23/h5-11,18H,4,12-13H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyHIPFKAQDLFLYEG-GOSISDBHSA-N
MW422.36 g/mol
LogP4.44
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9287102) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID9287102
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-4-18(15-10-8-14(2)9-11-15)24-19(27)12-26(3)13-20(28)25-21-16(22)6-5-7-17(21)23/h5-11,18H,4,12-13H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyHIPFKAQDLFLYEG-GOSISDBHSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9037201
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-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
2-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55411232
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 100748225
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 9037200
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide (CID 9287102) is N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide is CC[C@@H](NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is HIPFKAQDLFLYEG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-4-18(15-10-8-14(2)9-11-15)24-19(27)12-26(3)13-20(28)25-21-16(22)6-5-7-17(21)23/h5-11,18H,4,12-13H2,1-3H3,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 422.36 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9287102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).