2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate

C12H16N2O5 — CID 79346016

IUPAC2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)NCCO)cc1)OCCO
InChIInChI=1S/C12H16N2O5/c15-6-5-13-11(17)9-1-3-10(4-2-9)14-12(18)19-8-7-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18)
InChIKeyDHLOFENLRYRCCL-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.05
Rot. Bonds6

About 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate

2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate (PubChem CID 79346016) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
PubChem CID79346016
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C(=O)NCCO)cc1)OCCO
InChIInChI=1S/C12H16N2O5/c15-6-5-13-11(17)9-1-3-10(4-2-9)14-12(18)19-8-7-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18)
InChIKeyDHLOFENLRYRCCL-UHFFFAOYSA-N
XLogP-0.05
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
2-hydroxyethyl N-[4-(prop-2-enylcarbamoyl)phenyl]carbamate
CID 79345304
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
CID 24836459

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate (CID 79346016) is 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate is O=C(Nc1ccc(C(=O)NCCO)cc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate?
The InChIKey is DHLOFENLRYRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-6-5-13-11(17)9-1-3-10(4-2-9)14-12(18)19-8-7-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18).
What are the key properties of 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate?
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate has a molecular weight of 268.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 79346016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).