2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide

C24H32N2O2 — CID 132657067

IUPAC2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C24H32N2O2/c1-5-22(24(28)25-6-2)26(15-14-20-10-8-7-9-11-20)23(27)17-21-16-18(3)12-13-19(21)4/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28)
InChIKeyYWVOMRIUARQRIY-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.83
Rot. Bonds9

About 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide

2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide (PubChem CID 132657067) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
PubChem CID132657067
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C24H32N2O2/c1-5-22(24(28)25-6-2)26(15-14-20-10-8-7-9-11-20)23(27)17-21-16-18(3)12-13-19(21)4/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28)
InChIKeyYWVOMRIUARQRIY-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132654820
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100607515
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704476
2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132680294
N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132653247
N-ethyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 132675959
N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide
CID 132664273
2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide (CID 132657067) is 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
The InChIKey is YWVOMRIUARQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-5-22(24(28)25-6-2)26(15-14-20-10-8-7-9-11-20)23(27)17-21-16-18(3)12-13-19(21)4/h7-13,16,22H,5-6,14-15,17H2,1-4H3,(H,25,28).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide?
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide has a molecular weight of 380.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 132657067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).