2-(3-ethylanilino)-N-pentan-2-ylacetamide

C15H24N2O — CID 60688098

IUPAC2-(3-ethylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1cccc(CC)c1
InChIInChI=1S/C15H24N2O/c1-4-7-12(3)17-15(18)11-16-14-9-6-8-13(5-2)10-14/h6,8-10,12,16H,4-5,7,11H2,1-3H3,(H,17,18)
InChIKeyHCILKYKJVSDBKW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.97
Rot. Bonds7

About 2-(3-ethylanilino)-N-pentan-2-ylacetamide

2-(3-ethylanilino)-N-pentan-2-ylacetamide (PubChem CID 60688098) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-pentan-2-ylacetamide
PubChem CID60688098
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-ethylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1cccc(CC)c1
InChIInChI=1S/C15H24N2O/c1-4-7-12(3)17-15(18)11-16-14-9-6-8-13(5-2)10-14/h6,8-10,12,16H,4-5,7,11H2,1-3H3,(H,17,18)
InChIKeyHCILKYKJVSDBKW-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
3-ethyl-N-pentan-2-ylaniline
CID 43102191
N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide
CID 50963110
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-ethylanilino)-N-pentan-2-ylacetamide (CID 60688098) is 2-(3-ethylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-ethylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1cccc(CC)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-pentan-2-ylacetamide?
The InChIKey is HCILKYKJVSDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-7-12(3)17-15(18)11-16-14-9-6-8-13(5-2)10-14/h6,8-10,12,16H,4-5,7,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-ethylanilino)-N-pentan-2-ylacetamide?
2-(3-ethylanilino)-N-pentan-2-ylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60688098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).