2-(4-ethylanilino)-N-propan-2-ylacetamide

C13H20N2O — CID 28583181

IUPAC2-(4-ethylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)14-9-13(16)15-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyMVJLXXNHVFVDQV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-ethylanilino)-N-propan-2-ylacetamide

2-(4-ethylanilino)-N-propan-2-ylacetamide (PubChem CID 28583181) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-propan-2-ylacetamide
PubChem CID28583181
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(4-ethylanilino)-N-propan-2-ylacetamide
SMILESCCc1ccc(NCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)14-9-13(16)15-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyMVJLXXNHVFVDQV-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-ethylanilino)-N-propan-2-ylacetamide (CID 28583181) is 2-(4-ethylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-ethylanilino)-N-propan-2-ylacetamide is CCc1ccc(NCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-propan-2-ylacetamide?
The InChIKey is MVJLXXNHVFVDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11-5-7-12(8-6-11)14-9-13(16)15-10(2)3/h5-8,10,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-ethylanilino)-N-propan-2-ylacetamide?
2-(4-ethylanilino)-N-propan-2-ylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 28583181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).