N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C18H29NO3 — CID 110000392

IUPACN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(c1ccccc1)C(C)(C)CO
InChIInChI=1S/C18H29NO3/c1-17(2,3)22-12-16(21)19-11-15(18(4,5)13-20)14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)
InChIKeyBCFVFYNGZBVJMI-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.72
Rot. Bonds7

About N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 110000392) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID110000392
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(c1ccccc1)C(C)(C)CO
InChIInChI=1S/C18H29NO3/c1-17(2,3)22-12-16(21)19-11-15(18(4,5)13-20)14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21)
InChIKeyBCFVFYNGZBVJMI-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 110000392) is N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC(c1ccccc1)C(C)(C)CO.
What is the InChIKey of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is BCFVFYNGZBVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-17(2,3)22-12-16(21)19-11-15(18(4,5)13-20)14-9-7-6-8-10-14/h6-10,15,20H,11-13H2,1-5H3,(H,19,21).
What are the key properties of N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 307.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 110000392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).