tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate

C11H23N3O4 — CID 108864477

IUPACtert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
SMILESCN(CCO)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O4/c1-11(2,3)18-10(17)13-6-5-12-9(16)14(4)7-8-15/h15H,5-8H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyHFRJGMAUBDRYPB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.14
Rot. Bonds5

About tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate (PubChem CID 108864477) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
PubChem CID108864477
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
SMILESCN(CCO)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O4/c1-11(2,3)18-10(17)13-6-5-12-9(16)14(4)7-8-15/h15H,5-8H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyHFRJGMAUBDRYPB-UHFFFAOYSA-N
XLogP0.14
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl N-[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl]carbamate
CID 127108190
tert-butyl N-(2-hydroxyethyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]carbamate
CID 11849566
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-(2-aminoethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]carbamate
CID 108864621
tert-butyl N-(2-hydroxyethylcarbamoyl)-N-methylcarbamate
CID 125496778
tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
CID 86028262
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 161081619
zinc tert-butyl N-[3-[3-[di(ethyl)amino]propyl-(2-hydroxyethyl)amino]propyl]carbamate
CID 164540767

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate (CID 108864477) is tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate is CN(CCO)C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate?
The InChIKey is HFRJGMAUBDRYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-11(2,3)18-10(17)13-6-5-12-9(16)14(4)7-8-15/h15H,5-8H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate is sourced from PubChem (CID 108864477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).