N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide

C26H36N2O2 — CID 132706679

IUPACN-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCCc1ccc(CCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-7-21-12-14-22(15-13-21)16-17-24(29)28(18-23-11-9-8-10-19(23)2)20(3)25(30)27-26(4,5)6/h8-15,20H,7,16-18H2,1-6H3,(H,27,30)
InChIKeyGPCADUMYOVHZJS-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.82
Rot. Bonds8

About N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide

N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132706679) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132706679
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
SMILESCCc1ccc(CCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C26H36N2O2/c1-7-21-12-14-22(15-13-21)16-17-24(29)28(18-23-11-9-8-10-19(23)2)20(3)25(30)27-26(4,5)6/h8-15,20H,7,16-18H2,1-6H3,(H,27,30)
InChIKeyGPCADUMYOVHZJS-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706662
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132720497
N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132703419
2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195722
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
CID 132706628
N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132660039
N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132702922
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100530777
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132714894
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132709520
N-tert-butyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132704907
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132717149

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide (CID 132706679) is N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide is CCc1ccc(CCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is GPCADUMYOVHZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-7-21-12-14-22(15-13-21)16-17-24(29)28(18-23-11-9-8-10-19(23)2)20(3)25(30)27-26(4,5)6/h8-15,20H,7,16-18H2,1-6H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 408.59 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132706679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).