N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide

C26H36N2O3 — CID 132710026

IUPACN-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H36N2O3/c1-18-15-19(2)20(3)23(16-18)31-17-24(29)28(14-13-22-11-9-8-10-12-22)21(4)25(30)27-26(5,6)7/h8-12,15-16,21H,13-14,17H2,1-7H3,(H,27,30)
InChIKeyTWDBVZZDHWVDID-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.37
Rot. Bonds8

About N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide

N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide (PubChem CID 132710026) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
PubChem CID132710026
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
SMILESCc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H36N2O3/c1-18-15-19(2)20(3)23(16-18)31-17-24(29)28(14-13-22-11-9-8-10-12-22)21(4)25(30)27-26(5,6)7/h8-12,15-16,21H,13-14,17H2,1-7H3,(H,27,30)
InChIKeyTWDBVZZDHWVDID-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
N-ethyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132660529
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100520633
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
N-tert-butyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132714222
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707536
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724937
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534809
N-tert-butyl-2-[(2-fluorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133263150

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide (CID 132710026) is N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide is Cc1cc(C)c(C)c(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
The InChIKey is TWDBVZZDHWVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-18-15-19(2)20(3)23(16-18)31-17-24(29)28(14-13-22-11-9-8-10-12-22)21(4)25(30)27-26(5,6)7/h8-12,15-16,21H,13-14,17H2,1-7H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide?
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide has a molecular weight of 424.59 g/mol, XLogP of 4.37, 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-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132710026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).