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

C22H29N3O2 — CID 113176846

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)20-12-14-21(15-13-20)25(18(4)26)16-22(27)23-17(3)19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,23,27)
InChIKeyOAXHLSHRKCEHKC-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.76
Rot. Bonds8

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

2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide (PubChem CID 113176846) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
PubChem CID113176846
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)20-12-14-21(15-13-20)25(18(4)26)16-22(27)23-17(3)19-10-8-7-9-11-19/h7-15,17H,5-6,16H2,1-4H3,(H,23,27)
InChIKeyOAXHLSHRKCEHKC-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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

ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 113178821
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
2-(N-acetyl-2,3-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113180102
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827
2-[[4-(diethylamino)phenyl]methylidene]-N,N'-bis[(1R)-1-phenylethyl]propanediamide
CID 2375722

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide (CID 113176846) is 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide is CCN(CC)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide?
The InChIKey is OAXHLSHRKCEHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-24(6-2)20-12-14-21(15-13-20)25(18(4)26)16-22(27)23-17(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-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113176846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).