benzyl N-(1-hydroxypentan-2-yl)carbamate

C13H19NO3 — CID 15680933

IUPACbenzyl N-(1-hydroxypentan-2-yl)carbamate
SMILESCCCC(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-6-12(9-15)14-13(16)17-10-11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16)
InChIKeyROMHIJGISWRVJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.07
Rot. Bonds6

About benzyl N-(1-hydroxypentan-2-yl)carbamate

benzyl N-(1-hydroxypentan-2-yl)carbamate (PubChem CID 15680933) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzyl N-(1-hydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-hydroxypentan-2-yl)carbamate
PubChem CID15680933
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzyl N-(1-hydroxypentan-2-yl)carbamate
SMILESCCCC(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-6-12(9-15)14-13(16)17-10-11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16)
InChIKeyROMHIJGISWRVJP-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-hydroxypentan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-hydroxypentan-2-yl)carbamate (CID 15680933) is benzyl N-(1-hydroxypentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-hydroxypentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-hydroxypentan-2-yl)carbamate is CCCC(CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-hydroxypentan-2-yl)carbamate?
The InChIKey is ROMHIJGISWRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-6-12(9-15)14-13(16)17-10-11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16).
What are the key properties of benzyl N-(1-hydroxypentan-2-yl)carbamate?
benzyl N-(1-hydroxypentan-2-yl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-hydroxypentan-2-yl)carbamate is sourced from PubChem (CID 15680933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).