benzyl N-(1-methoxy-2-methylpropyl)carbamate

C13H19NO3 — CID 15693295

IUPACbenzyl N-(1-methoxy-2-methylpropyl)carbamate
SMILESCOC(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)12(16-3)14-13(15)17-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)
InChIKeyKXYKRJWZBCZAFF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.54
Rot. Bonds5

About benzyl N-(1-methoxy-2-methylpropyl)carbamate

benzyl N-(1-methoxy-2-methylpropyl)carbamate (PubChem CID 15693295) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzyl N-(1-methoxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methoxy-2-methylpropyl)carbamate
PubChem CID15693295
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzyl N-(1-methoxy-2-methylpropyl)carbamate
SMILESCOC(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C13H19NO3/c1-10(2)12(16-3)14-13(15)17-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15)
InChIKeyKXYKRJWZBCZAFF-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzyl N-(1-methoxy-2-methylpropyl)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 benzyl N-(1-methoxy-2-methylpropyl)carbamate?
The IUPAC name of benzyl N-(1-methoxy-2-methylpropyl)carbamate (CID 15693295) is benzyl N-(1-methoxy-2-methylpropyl)carbamate.
What is the SMILES notation for benzyl N-(1-methoxy-2-methylpropyl)carbamate?
The canonical SMILES for benzyl N-(1-methoxy-2-methylpropyl)carbamate is COC(NC(=O)OCc1ccccc1)C(C)C.
What is the InChIKey of benzyl N-(1-methoxy-2-methylpropyl)carbamate?
The InChIKey is KXYKRJWZBCZAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)12(16-3)14-13(15)17-9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,14,15).
What are the key properties of benzyl N-(1-methoxy-2-methylpropyl)carbamate?
benzyl N-(1-methoxy-2-methylpropyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methoxy-2-methylpropyl)carbamate is sourced from PubChem (CID 15693295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).