2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C23H30N2O3 — CID 132657520

IUPAC2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-16(2)24-23(27)19(5)25(14-20-9-7-6-8-10-20)22(26)15-28-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27)
InChIKeyYLSRKFVVMUUGEB-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.62
Rot. Bonds8

About 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132657520) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID132657520
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-16(2)24-23(27)19(5)25(14-20-9-7-6-8-10-20)22(26)15-28-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27)
InChIKeyYLSRKFVVMUUGEB-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide 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

(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724937
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195360
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132704766
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100547183
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
2-[benzyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 132704763
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100655404
2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132660881
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100529981
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707007
(2S)-2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645001

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 132657520) is 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is YLSRKFVVMUUGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)24-23(27)19(5)25(14-20-9-7-6-8-10-20)22(26)15-28-21-13-17(3)11-12-18(21)4/h6-13,16,19H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132657520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).