benzyl N-(2-ethyl-2-hydroxybutyl)carbamate

C14H21NO3 — CID 65112360

IUPACbenzyl N-(2-ethyl-2-hydroxybutyl)carbamate
SMILESCCC(O)(CC)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-14(17,4-2)11-15-13(16)18-10-12-8-6-5-7-9-12/h5-9,17H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyQFHSZSVRSNRMPE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.46
Rot. Bonds6

About benzyl N-(2-ethyl-2-hydroxybutyl)carbamate

benzyl N-(2-ethyl-2-hydroxybutyl)carbamate (PubChem CID 65112360) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is benzyl N-(2-ethyl-2-hydroxybutyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-ethyl-2-hydroxybutyl)carbamate
PubChem CID65112360
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namebenzyl N-(2-ethyl-2-hydroxybutyl)carbamate
SMILESCCC(O)(CC)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-14(17,4-2)11-15-13(16)18-10-12-8-6-5-7-9-12/h5-9,17H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyQFHSZSVRSNRMPE-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)carbamate
CID 104701872
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
2-hydroxy-2-phenylmethoxy-3-(phenylmethoxycarbonylamino)propanoic acid
CID 142666338
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(3,3-dimethylpentyl)carbamate;methanesulfonic acid
CID 175444321

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-ethyl-2-hydroxybutyl)carbamate?
The IUPAC name of benzyl N-(2-ethyl-2-hydroxybutyl)carbamate (CID 65112360) is benzyl N-(2-ethyl-2-hydroxybutyl)carbamate.
What is the SMILES notation for benzyl N-(2-ethyl-2-hydroxybutyl)carbamate?
The canonical SMILES for benzyl N-(2-ethyl-2-hydroxybutyl)carbamate is CCC(O)(CC)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-ethyl-2-hydroxybutyl)carbamate?
The InChIKey is QFHSZSVRSNRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-14(17,4-2)11-15-13(16)18-10-12-8-6-5-7-9-12/h5-9,17H,3-4,10-11H2,1-2H3,(H,15,16).
What are the key properties of benzyl N-(2-ethyl-2-hydroxybutyl)carbamate?
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-ethyl-2-hydroxybutyl)carbamate is sourced from PubChem (CID 65112360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).