benzene;methyl N-propan-2-ylcarbamate

C11H17NO2 — CID 174287758

IUPACbenzene;methyl N-propan-2-ylcarbamate
SMILESCOC(=O)NC(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6-5(7)8-3/h1-6H;4H,1-3H3,(H,6,7)
InChIKeyXTHRINRKONEHGY-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.44
Rot. Bonds1

About benzene;methyl N-propan-2-ylcarbamate

benzene;methyl N-propan-2-ylcarbamate (PubChem CID 174287758) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is benzene;methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namebenzene;methyl N-propan-2-ylcarbamate
PubChem CID174287758
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namebenzene;methyl N-propan-2-ylcarbamate
SMILESCOC(=O)NC(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6-5(7)8-3/h1-6H;4H,1-3H3,(H,6,7)
InChIKeyXTHRINRKONEHGY-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;methyl N-propan-2-ylcarbamate?
The IUPAC name of benzene;methyl N-propan-2-ylcarbamate (CID 174287758) is benzene;methyl N-propan-2-ylcarbamate.
What is the SMILES notation for benzene;methyl N-propan-2-ylcarbamate?
The canonical SMILES for benzene;methyl N-propan-2-ylcarbamate is COC(=O)NC(C)C.c1ccccc1.
What is the InChIKey of benzene;methyl N-propan-2-ylcarbamate?
The InChIKey is XTHRINRKONEHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6-5(7)8-3/h1-6H;4H,1-3H3,(H,6,7).
What are the key properties of benzene;methyl N-propan-2-ylcarbamate?
benzene;methyl N-propan-2-ylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 174287758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).