2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate

C12H18N2O4 — CID 83209205

IUPAC2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
SMILESCOc1ccc(C(O)CNCCOC(N)=O)cc1
InChIInChI=1S/C12H18N2O4/c1-17-10-4-2-9(3-5-10)11(15)8-14-6-7-18-12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyDNQSGKOZUPTOOU-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.41
Rot. Bonds7

About 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate

2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate (PubChem CID 83209205) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
PubChem CID83209205
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
SMILESCOc1ccc(C(O)CNCCOC(N)=O)cc1
InChIInChI=1S/C12H18N2O4/c1-17-10-4-2-9(3-5-10)11(15)8-14-6-7-18-12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyDNQSGKOZUPTOOU-UHFFFAOYSA-N
XLogP0.41
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 22750171
1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol
CID 114187570
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55750339

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate (CID 83209205) is 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate is COc1ccc(C(O)CNCCOC(N)=O)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate?
The InChIKey is DNQSGKOZUPTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-10-4-2-9(3-5-10)11(15)8-14-6-7-18-12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16).
What are the key properties of 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate?
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate has a molecular weight of 254.29 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate is sourced from PubChem (CID 83209205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).