N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide

C17H27NO2 — CID 59818414

IUPACN-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-16(2,3)18-15(19)11-13-7-9-14(10-8-13)12-20-17(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19)
InChIKeyXQOSYODKCCRCDJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds4

About N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide

N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide (PubChem CID 59818414) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide
PubChem CID59818414
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide
SMILESCC(C)(C)NC(=O)Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-16(2,3)18-15(19)11-13-7-9-14(10-8-13)12-20-17(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19)
InChIKeyXQOSYODKCCRCDJ-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide (CID 59818414) is N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide is CC(C)(C)NC(=O)Cc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide?
The InChIKey is XQOSYODKCCRCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)18-15(19)11-13-7-9-14(10-8-13)12-20-17(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide?
N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]acetamide is sourced from PubChem (CID 59818414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).