2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

C17H24N2O4 — CID 113173863

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)12-17(21)18-11-16-5-4-10-23-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyQTJLCPKWEMSZRY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.73
Rot. Bonds7

About 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113173863) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113173863
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)12-17(21)18-11-16-5-4-10-23-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyQTJLCPKWEMSZRY-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78793510
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2928616
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165954
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113173863) is 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccc(N(CC(=O)NCC2CCCO2)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QTJLCPKWEMSZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)12-17(21)18-11-16-5-4-10-23-16/h6-9,16H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113173863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).