2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide

C15H24N2O2 — CID 39364243

IUPAC2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-11-15(18)16-10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyXCPYZUSWZAACOV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.66
Rot. Bonds8

About 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide

2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide (PubChem CID 39364243) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
PubChem CID39364243
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCCOc1ccc(NCC(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-11-15(18)16-10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyXCPYZUSWZAACOV-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821761
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
CID 125144994
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide (CID 39364243) is 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide is CCOc1ccc(NCC(=O)NCCC(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is XCPYZUSWZAACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-11-15(18)16-10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide?
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 39364243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).