2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide

C18H26N2O4 — CID 113174207

IUPAC2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1OC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)24-17-9-5-4-8-16(17)20(14(3)21)12-18(22)19-11-15-7-6-10-23-15/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,22)
InChIKeyZDTAIHNKKSAFRN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.12
Rot. Bonds7

About 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113174207) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113174207
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1OC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)24-17-9-5-4-8-16(17)20(14(3)21)12-18(22)19-11-15-7-6-10-23-15/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,22)
InChIKeyZDTAIHNKKSAFRN-UHFFFAOYSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 655529

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113174207) is 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1OC(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZDTAIHNKKSAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)24-17-9-5-4-8-16(17)20(14(3)21)12-18(22)19-11-15-7-6-10-23-15/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113174207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).