N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide

C18H27NO2 — CID 75521361

IUPACN-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)19(14-16-7-5-4-6-8-16)17(20)13-15-9-11-21-12-10-15/h4-8,15H,9-14H2,1-3H3
InChIKeyRFPHTVZJHLYEKI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.63
Rot. Bonds4

About N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide

N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide (PubChem CID 75521361) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide
PubChem CID75521361
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C18H27NO2/c1-18(2,3)19(14-16-7-5-4-6-8-16)17(20)13-15-9-11-21-12-10-15/h4-8,15H,9-14H2,1-3H3
InChIKeyRFPHTVZJHLYEKI-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide (CID 75521361) is N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CC1CCOCC1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide?
The InChIKey is RFPHTVZJHLYEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)19(14-16-7-5-4-6-8-16)17(20)13-15-9-11-21-12-10-15/h4-8,15H,9-14H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide?
N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 75521361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).