2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide

C22H29N3O2 — CID 113162089

IUPAC2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)21-14-12-20(13-15-21)23-22(27)16-25(18(4)26)17(3)19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,23,27)
InChIKeyRYFTUXXCZNMAGL-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.08
Rot. Bonds8

About 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide

2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113162089) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113162089
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)21-14-12-20(13-15-21)23-22(27)16-25(18(4)26)17(3)19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,23,27)
InChIKeyRYFTUXXCZNMAGL-UHFFFAOYSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113159160
2-[acetyl(1-phenylethyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113162035
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
2-[acetyl(1-phenylethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113162094
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
2-[acetyl(1-phenylethyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113162068
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide (CID 113162089) is 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(C(C)=O)C(C)c2ccccc2)cc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is RYFTUXXCZNMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-24(6-2)21-14-12-20(13-15-21)23-22(27)16-25(18(4)26)17(3)19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,23,27).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide?
2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113162089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).