N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide

C23H28Cl2N2O3 — CID 132717313

IUPACN-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-16(22(29)26-23(2,3)4)27(13-12-17-8-6-5-7-9-17)21(28)15-30-20-11-10-18(24)14-19(20)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyUAHPVEOZBCDKSD-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.75
Rot. Bonds8

About N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide

N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132717313) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132717313
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC NameN-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-16(22(29)26-23(2,3)4)27(13-12-17-8-6-5-7-9-17)21(28)15-30-20-11-10-18(24)14-19(20)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyUAHPVEOZBCDKSD-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625235
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 132722766
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132675380
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707536
(2S)-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100626355
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132620435
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 132721636
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133145707

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide (CID 132717313) is N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is UAHPVEOZBCDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-16(22(29)26-23(2,3)4)27(13-12-17-8-6-5-7-9-17)21(28)15-30-20-11-10-18(24)14-19(20)25/h5-11,14,16H,12-13,15H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 451.39 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132717313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).