2-hydroxyethyl N-benzylcarbamate

C10H13NO3 — CID 20787

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IUPAC2-hydroxyethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCO
InChIInChI=1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
InChIKeyYFLRYAVDPKONNX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds4

About 2-hydroxyethyl N-benzylcarbamate

2-hydroxyethyl N-benzylcarbamate (PubChem CID 20787) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-hydroxyethyl N-benzylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-benzylcarbamate
PubChem CID20787
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-hydroxyethyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCCO
InChIInChI=1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
InChIKeyYFLRYAVDPKONNX-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
methyl N-benzylcarbamate
CID 232620
tert-Butyl Benzylcarbamate
CID 4615331
Benzylcarbamic acid;phenylmethanamine
CID 230053
2,2,2-trifluoroethyl N-benzylcarbamate
CID 9397960
ethyl N-[[4-[(ethoxycarbonylamino)methyl]phenyl]methyl]carbamate
CID 2165506
Carbamic acid, phenethyl-, 2-hydroxyethyl ester
CID 20788
Carbamic acid, (beta-methylphenethyl)-, 2-hydroxyethyl ester
CID 20789
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
CID 3863163
Benzylcarbamic Acid
CID 230054
Ethyl (1-phenylethyl)carbamate
CID 229069

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-benzylcarbamate?
The IUPAC name of 2-hydroxyethyl N-benzylcarbamate (CID 20787) is 2-hydroxyethyl N-benzylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-benzylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-benzylcarbamate is O=C(NCc1ccccc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-benzylcarbamate?
The InChIKey is YFLRYAVDPKONNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-6-7-14-10(13)11-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13).
What are the key properties of 2-hydroxyethyl N-benzylcarbamate?
2-hydroxyethyl N-benzylcarbamate has a molecular weight of 195.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-benzylcarbamate is sourced from PubChem (CID 20787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).