benzyl N-(2,4-dimethylpentan-3-yl)carbamate

C15H23NO2 — CID 59430986

IUPACbenzyl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(12(3)4)16-15(17)18-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17)
InChIKeyMDWDQXDWPXEDBH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.59
Rot. Bonds5

About benzyl N-(2,4-dimethylpentan-3-yl)carbamate

benzyl N-(2,4-dimethylpentan-3-yl)carbamate (PubChem CID 59430986) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is benzyl N-(2,4-dimethylpentan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,4-dimethylpentan-3-yl)carbamate
PubChem CID59430986
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebenzyl N-(2,4-dimethylpentan-3-yl)carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(12(3)4)16-15(17)18-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17)
InChIKeyMDWDQXDWPXEDBH-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,4-dimethylpentan-3-yl)carbamate?
The IUPAC name of benzyl N-(2,4-dimethylpentan-3-yl)carbamate (CID 59430986) is benzyl N-(2,4-dimethylpentan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2,4-dimethylpentan-3-yl)carbamate?
The canonical SMILES for benzyl N-(2,4-dimethylpentan-3-yl)carbamate is CC(C)C(NC(=O)OCc1ccccc1)C(C)C.
What is the InChIKey of benzyl N-(2,4-dimethylpentan-3-yl)carbamate?
The InChIKey is MDWDQXDWPXEDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(12(3)4)16-15(17)18-10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,16,17).
What are the key properties of benzyl N-(2,4-dimethylpentan-3-yl)carbamate?
benzyl N-(2,4-dimethylpentan-3-yl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,4-dimethylpentan-3-yl)carbamate is sourced from PubChem (CID 59430986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).