N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide

C24H30Cl2N2O2 — CID 132716713

IUPACN-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C24H30Cl2N2O2/c1-6-21(23(30)27-24(3,4)5)28(15-17-12-10-16(2)11-13-17)22(29)14-18-19(25)8-7-9-20(18)26/h7-13,21H,6,14-15H2,1-5H3,(H,27,30)
InChIKeyJWTFYRLMTRTBMZ-UHFFFAOYSA-N
MW449.42 g/mol
LogP5.57
Rot. Bonds7

About N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide

N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (PubChem CID 132716713) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
PubChem CID132716713
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC NameN-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C24H30Cl2N2O2/c1-6-21(23(30)27-24(3,4)5)28(15-17-12-10-16(2)11-13-17)22(29)14-18-19(25)8-7-9-20(18)26/h7-13,21H,6,14-15H2,1-5H3,(H,27,30)
InChIKeyJWTFYRLMTRTBMZ-UHFFFAOYSA-N
XLogP5.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132615423
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132708157
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901
N-tert-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147738
N-tert-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708882
N-tert-butyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132619912
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 132625694
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132708889
(2S)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]butanamide
CID 100708371
N-tert-butyl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132946917
N-tert-butyl-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132729890

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (CID 132716713) is N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The InChIKey is JWTFYRLMTRTBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-6-21(23(30)27-24(3,4)5)28(15-17-12-10-16(2)11-13-17)22(29)14-18-19(25)8-7-9-20(18)26/h7-13,21H,6,14-15H2,1-5H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide has a molecular weight of 449.42 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132716713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).