N-[2-(4-acetylanilino)ethyl]acetamide

C12H16N2O2 — CID 115573849

IUPACN-[2-(4-acetylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(2)16/h3-6,14H,7-8H2,1-2H3,(H,13,16)
InChIKeyBQRAOAOMHXBGMH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.44
Rot. Bonds5

About N-[2-(4-acetylanilino)ethyl]acetamide

N-[2-(4-acetylanilino)ethyl]acetamide (PubChem CID 115573849) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(4-acetylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylanilino)ethyl]acetamide
PubChem CID115573849
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(4-acetylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(C(C)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(2)16/h3-6,14H,7-8H2,1-2H3,(H,13,16)
InChIKeyBQRAOAOMHXBGMH-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-acetamidoethylamino)benzoic acid
CID 62231212
1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
CID 114468465
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
(4-acetylanilino)methanesulfinic acid
CID 175150534

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(4-acetylanilino)ethyl]acetamide (CID 115573849) is N-[2-(4-acetylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-acetylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(4-acetylanilino)ethyl]acetamide is CC(=O)NCCNc1ccc(C(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetylanilino)ethyl]acetamide?
The InChIKey is BQRAOAOMHXBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(2)16/h3-6,14H,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(4-acetylanilino)ethyl]acetamide?
N-[2-(4-acetylanilino)ethyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylanilino)ethyl]acetamide is sourced from PubChem (CID 115573849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).