N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide

C22H28N2O2 — CID 132653231

IUPACN-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-20(22(26)23-4-2)24(16-15-18-11-7-5-8-12-18)21(25)17-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)
InChIKeyYWIPKOZHBZPKSI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.22
Rot. Bonds9

About N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide

N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide (PubChem CID 132653231) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
PubChem CID132653231
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-3-20(22(26)23-4-2)24(16-15-18-11-7-5-8-12-18)21(25)17-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26)
InChIKeyYWIPKOZHBZPKSI-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132657067
(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515352
(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132705262
(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514241
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
N-butan-2-yl-2-[[2-(4-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704460
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
N-methyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132653247
N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704476
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide (CID 132653231) is N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide is CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide?
The InChIKey is YWIPKOZHBZPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-20(22(26)23-4-2)24(16-15-18-11-7-5-8-12-18)21(25)17-19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide?
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132653231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).