benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate

C14H19NO3 — CID 10214608

IUPACbenzyl N-(2-methyl-4-oxopentan-2-yl)carbamate
SMILESCC(=O)CC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)9-14(2,3)15-13(17)18-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyVJMYFVPKBNIYTC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.67
Rot. Bonds5

About benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate

benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate (PubChem CID 10214608) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-4-oxopentan-2-yl)carbamate
PubChem CID10214608
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-(2-methyl-4-oxopentan-2-yl)carbamate
SMILESCC(=O)CC(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)9-14(2,3)15-13(17)18-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyVJMYFVPKBNIYTC-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate?
The IUPAC name of benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate (CID 10214608) is benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate is CC(=O)CC(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate?
The InChIKey is VJMYFVPKBNIYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)9-14(2,3)15-13(17)18-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,15,17).
What are the key properties of benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate?
benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-4-oxopentan-2-yl)carbamate is sourced from PubChem (CID 10214608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).