benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate

C12H18N2O4 — CID 89049973

IUPACbenzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
SMILESO=C(NCCONCCO)OCc1ccccc1
InChIInChI=1S/C12H18N2O4/c15-8-6-14-18-9-7-13-12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2,(H,13,16)
InChIKeyUXUFZSLWXQATDM-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.43
Rot. Bonds8

About benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate

benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate (PubChem CID 89049973) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
PubChem CID89049973
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namebenzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
SMILESO=C(NCCONCCO)OCc1ccccc1
InChIInChI=1S/C12H18N2O4/c15-8-6-14-18-9-7-13-12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2,(H,13,16)
InChIKeyUXUFZSLWXQATDM-UHFFFAOYSA-N
XLogP0.43
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(5-aminooxypentyl)carbamate;hydrochloride
CID 165436022
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
CID 135285198
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate (CID 89049973) is benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate is O=C(NCCONCCO)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate?
The InChIKey is UXUFZSLWXQATDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-8-6-14-18-9-7-13-12(16)17-10-11-4-2-1-3-5-11/h1-5,14-15H,6-10H2,(H,13,16).
What are the key properties of benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate?
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate has a molecular weight of 254.29 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate is sourced from PubChem (CID 89049973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).