benzyl N-(3-deuteriopropyl)carbamate

C11H15NO2 — CID 173247351

IUPACbenzyl N-(3-deuteriopropyl)carbamate
SMILES[2H]CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)/i1D
InChIKeyCSOLJDWYEPDGKF-MICDWDOJSA-N
MW194.25 g/mol
LogP2.32
Rot. Bonds5

About benzyl N-(3-deuteriopropyl)carbamate

benzyl N-(3-deuteriopropyl)carbamate (PubChem CID 173247351) has the molecular formula C11H15NO2 and a molecular weight of 194.25 g/mol. Its IUPAC name is benzyl N-(3-deuteriopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-deuteriopropyl)carbamate
PubChem CID173247351
Molecular FormulaC11H15NO2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Namebenzyl N-(3-deuteriopropyl)carbamate
SMILES[2H]CCCNC(=O)OCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)/i1D
InChIKeyCSOLJDWYEPDGKF-MICDWDOJSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-(3-deuteriopropyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
(4-aminophenyl)methyl N-propylcarbamate
CID 142910481
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-deuteriopropyl)carbamate?
The IUPAC name of benzyl N-(3-deuteriopropyl)carbamate (CID 173247351) is benzyl N-(3-deuteriopropyl)carbamate.
What is the SMILES notation for benzyl N-(3-deuteriopropyl)carbamate?
The canonical SMILES for benzyl N-(3-deuteriopropyl)carbamate is [2H]CCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-deuteriopropyl)carbamate?
The InChIKey is CSOLJDWYEPDGKF-MICDWDOJSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)/i1D.
What are the key properties of benzyl N-(3-deuteriopropyl)carbamate?
benzyl N-(3-deuteriopropyl)carbamate has a molecular weight of 194.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-deuteriopropyl)carbamate is sourced from PubChem (CID 173247351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).