benzyl N,N-di(propan-2-yl)carbamate

C14H21NO2 — CID 11053622

IUPACbenzyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyKENFRORLALVLLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.44
Rot. Bonds4

About benzyl N,N-di(propan-2-yl)carbamate

benzyl N,N-di(propan-2-yl)carbamate (PubChem CID 11053622) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is benzyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N,N-di(propan-2-yl)carbamate
PubChem CID11053622
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namebenzyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyKENFRORLALVLLB-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl N,N-di(propan-2-yl)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,N-di(propan-2-yl)carbamate?
The IUPAC name of benzyl N,N-di(propan-2-yl)carbamate (CID 11053622) is benzyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for benzyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for benzyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCc1ccccc1)C(C)C.
What is the InChIKey of benzyl N,N-di(propan-2-yl)carbamate?
The InChIKey is KENFRORLALVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)17-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of benzyl N,N-di(propan-2-yl)carbamate?
benzyl N,N-di(propan-2-yl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11053622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).