2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide

C23H30N2O3 — CID 132703128

IUPAC2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-17-11-13-20(14-12-17)28-16-21(26)25(15-19-9-7-6-8-10-19)18(2)22(27)24-23(3,4)5/h6-14,18H,15-16H2,1-5H3,(H,24,27)
InChIKeyBEZYDYUYZOUUEA-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.71
Rot. Bonds7

About 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide

2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 132703128) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
PubChem CID132703128
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O3/c1-17-11-13-20(14-12-17)28-16-21(26)25(15-19-9-7-6-8-10-19)18(2)22(27)24-23(3,4)5/h6-14,18H,15-16H2,1-5H3,(H,24,27)
InChIKeyBEZYDYUYZOUUEA-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132719995
2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146089
2-[benzyl-[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132719999
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 133147666
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132985498
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133147414
N-tert-butyl-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132707171
N-tert-butyl-2-[[2-(4-methoxyphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707536
(2R)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667870
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
CID 132651116
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132708564
N-tert-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132708563

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide (CID 132703128) is 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide is Cc1ccc(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is BEZYDYUYZOUUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-11-13-20(14-12-17)28-16-21(26)25(15-19-9-7-6-8-10-19)18(2)22(27)24-23(3,4)5/h6-14,18H,15-16H2,1-5H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide?
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 132703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).