N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide

C16H24N2O2 — CID 113057161

IUPACN-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-14(5-2)16(20)17-11-12-18(13(3)19)15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20)
InChIKeyLIVFDKMOZFDSAN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide

N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide (PubChem CID 113057161) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
PubChem CID113057161
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C(C)=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-14(5-2)16(20)17-11-12-18(13(3)19)15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20)
InChIKeyLIVFDKMOZFDSAN-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
N-[2-(N-acetyl-4-methylanilino)ethyl]-2,2-diphenylacetamide
CID 113057558
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 113057197
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
CID 113062870
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide (CID 113057161) is N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(C(C)=O)c1ccccc1.
What is the InChIKey of N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide?
The InChIKey is LIVFDKMOZFDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-14(5-2)16(20)17-11-12-18(13(3)19)15-9-7-6-8-10-15/h6-10,14H,4-5,11-12H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide?
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113057161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).