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

C25H34N2O3 — CID 132707138

IUPACN-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(C)c(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-18-12-13-19(2)22(16-18)30-17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29)
InChIKeyBHESGKOPSAJWES-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.06
Rot. Bonds8

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

N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132707138) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132707138
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(C)c(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H34N2O3/c1-18-12-13-19(2)22(16-18)30-17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29)
InChIKeyBHESGKOPSAJWES-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724937
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534809
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146027
2-[[2-(2,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132660352
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707536
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147664
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (CID 132707138) is N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is Cc1ccc(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-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is BHESGKOPSAJWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18-12-13-19(2)22(16-18)30-17-23(28)27(15-14-21-10-8-7-9-11-21)20(3)24(29)26-25(4,5)6/h7-13,16,20H,14-15,17H2,1-6H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.06, 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-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132707138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).