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

C24H32N2O4 — CID 132707536

IUPACN-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4/c1-18(23(28)25-24(2,3)4)26(16-15-19-9-7-6-8-10-19)22(27)17-30-21-13-11-20(29-5)12-14-21/h6-14,18H,15-17H2,1-5H3,(H,25,28)
InChIKeyXFLBQXMQLNFSLU-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.45
Rot. Bonds9

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

N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132707536) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132707536
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C24H32N2O4/c1-18(23(28)25-24(2,3)4)26(16-15-19-9-7-6-8-10-19)22(27)17-30-21-13-11-20(29-5)12-14-21/h6-14,18H,15-17H2,1-5H3,(H,25,28)
InChIKeyXFLBQXMQLNFSLU-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
2-[[2-(3,5-dimethoxyphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132668377
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132703128
N-tert-butyl-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707138
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
N-tert-butyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132710026
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132718702
(2R)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724639
2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132660432
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132656360
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132674117

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide (CID 132707536) is N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is COc1ccc(OCC(=O)N(CCc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is XFLBQXMQLNFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18(23(28)25-24(2,3)4)26(16-15-19-9-7-6-8-10-19)22(27)17-30-21-13-11-20(29-5)12-14-21/h6-14,18H,15-17H2,1-5H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide?
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 412.53 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132707536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).