2-hydroxyethyl N-(4-cyanophenyl)carbamate

C10H10N2O3 — CID 79345947

IUPAC2-hydroxyethyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C10H10N2O3/c11-7-8-1-3-9(4-2-8)12-10(14)15-6-5-13/h1-4,13H,5-6H2,(H,12,14)
InChIKeyKOXIDYHIRSVWSM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.10
Rot. Bonds3

About 2-hydroxyethyl N-(4-cyanophenyl)carbamate

2-hydroxyethyl N-(4-cyanophenyl)carbamate (PubChem CID 79345947) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-cyanophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-cyanophenyl)carbamate
PubChem CID79345947
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-hydroxyethyl N-(4-cyanophenyl)carbamate
SMILESN#Cc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C10H10N2O3/c11-7-8-1-3-9(4-2-8)12-10(14)15-6-5-13/h1-4,13H,5-6H2,(H,12,14)
InChIKeyKOXIDYHIRSVWSM-UHFFFAOYSA-N
XLogP1.10
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[4-(cyanomethoxy)phenyl]carbamate
CID 79345574
ethyl N-[4-(4-cyanoanilino)phenyl]carbamate
CID 112990074
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
2-hydroxyethyl N-[4-(sulfamoylmethyl)phenyl]carbamate
CID 79345608

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-cyanophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-cyanophenyl)carbamate (CID 79345947) is 2-hydroxyethyl N-(4-cyanophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-cyanophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-cyanophenyl)carbamate is N#Cc1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-(4-cyanophenyl)carbamate?
The InChIKey is KOXIDYHIRSVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-7-8-1-3-9(4-2-8)12-10(14)15-6-5-13/h1-4,13H,5-6H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(4-cyanophenyl)carbamate?
2-hydroxyethyl N-(4-cyanophenyl)carbamate has a molecular weight of 206.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-cyanophenyl)carbamate is sourced from PubChem (CID 79345947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).