2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide

C25H34N2O3 — CID 132706923

IUPAC2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O3/c1-6-23(25(29)26-18(2)3)27(13-12-21-10-8-7-9-11-21)24(28)17-30-22-15-19(4)14-20(5)16-22/h7-11,14-16,18,23H,6,12-13,17H2,1-5H3,(H,26,29)
InChIKeyLPOMPCXUXRVLOX-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.06
Rot. Bonds10

About 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide

2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide (PubChem CID 132706923) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
PubChem CID132706923
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O3/c1-6-23(25(29)26-18(2)3)27(13-12-21-10-8-7-9-11-21)24(28)17-30-22-15-19(4)14-20(5)16-22/h7-11,14-16,18,23H,6,12-13,17H2,1-5H3,(H,26,29)
InChIKeyLPOMPCXUXRVLOX-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Analyze 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide with MolForge

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 100606311
2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 132709843
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132723773
(2R)-2-[[2-(3-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515131
2-[[2-(2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132708443
N-tert-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132707153
(2R)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515152
(2R)-2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100733683
2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
(2S)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513778
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
(2S)-2-[benzyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylbutanamide
CID 100732243

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide (CID 132706923) is 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
The InChIKey is LPOMPCXUXRVLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-6-23(25(29)26-18(2)3)27(13-12-21-10-8-7-9-11-21)24(28)17-30-22-15-19(4)14-20(5)16-22/h7-11,14-16,18,23H,6,12-13,17H2,1-5H3,(H,26,29).
What are the key properties of 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide?
2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide has a molecular weight of 410.56 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132706923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).