propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate

C17H26N2O5 — CID 102102366

IUPACpropan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCc1cc(N(NC(=O)OC(C)C)C(=O)OC(C)C)c(C)c(C)c1O
InChIInChI=1S/C17H26N2O5/c1-9(2)23-16(21)18-19(17(22)24-10(3)4)14-8-11(5)15(20)13(7)12(14)6/h8-10,20H,1-7H3,(H,18,21)
InChIKeyATCWDEHNSFQNOS-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.72
Rot. Bonds3

About propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate

propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 102102366) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID102102366
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namepropan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCc1cc(N(NC(=O)OC(C)C)C(=O)OC(C)C)c(C)c(C)c1O
InChIInChI=1S/C17H26N2O5/c1-9(2)23-16(21)18-19(17(22)24-10(3)4)14-8-11(5)15(20)13(7)12(14)6/h8-10,20H,1-7H3,(H,18,21)
InChIKeyATCWDEHNSFQNOS-UHFFFAOYSA-N
XLogP3.72
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate 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 propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate (CID 102102366) is propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate is Cc1cc(N(NC(=O)OC(C)C)C(=O)OC(C)C)c(C)c(C)c1O.
What is the InChIKey of propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is ATCWDEHNSFQNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-9(2)23-16(21)18-19(17(22)24-10(3)4)14-8-11(5)15(20)13(7)12(14)6/h8-10,20H,1-7H3,(H,18,21).
What are the key properties of propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 338.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 102102366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).