2-(3-ethylanilino)-N-(3-methylbutyl)acetamide

C15H24N2O — CID 60672205

IUPAC2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
SMILESCCc1cccc(NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-13-6-5-7-14(10-13)17-11-15(18)16-9-8-12(2)3/h5-7,10,12,17H,4,8-9,11H2,1-3H3,(H,16,18)
InChIKeyFEKHXLYXPMTXQU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.82
Rot. Bonds7

About 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide

2-(3-ethylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 60672205) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
PubChem CID60672205
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
SMILESCCc1cccc(NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-13-6-5-7-14(10-13)17-11-15(18)16-9-8-12(2)3/h5-7,10,12,17H,4,8-9,11H2,1-3H3,(H,16,18)
InChIKeyFEKHXLYXPMTXQU-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-pentan-2-ylacetamide
CID 60688098
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide (CID 60672205) is 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide is CCc1cccc(NCC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is FEKHXLYXPMTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-6-5-7-14(10-13)17-11-15(18)16-9-8-12(2)3/h5-7,10,12,17H,4,8-9,11H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-ethylanilino)-N-(3-methylbutyl)acetamide?
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.82, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 60672205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).