N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide

C20H23N3O3 — CID 113061825

IUPACN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-18-8-10-19(11-9-18)23(16(2)25)13-12-21-20(26)14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyOUDHAPTXLOJHQE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide

N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide (PubChem CID 113061825) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
PubChem CID113061825
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15(24)22-18-8-10-19(11-9-18)23(16(2)25)13-12-21-20(26)14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyOUDHAPTXLOJHQE-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide (CID 113061825) is N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide is CC(=O)Nc1ccc(N(CCNC(=O)Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide?
The InChIKey is OUDHAPTXLOJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)22-18-8-10-19(11-9-18)23(16(2)25)13-12-21-20(26)14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide?
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide has a molecular weight of 353.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113061825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).