propyl N-[2-(2-hydroxyethoxy)propyl]carbamate

C9H19NO4 — CID 54036136

IUPACpropyl N-[2-(2-hydroxyethoxy)propyl]carbamate
SMILESCCCOC(=O)NCC(C)OCCO
InChIInChI=1S/C9H19NO4/c1-3-5-14-9(12)10-7-8(2)13-6-4-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyLJBNMTYARPFNHR-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.52
Rot. Bonds7

About propyl N-[2-(2-hydroxyethoxy)propyl]carbamate

propyl N-[2-(2-hydroxyethoxy)propyl]carbamate (PubChem CID 54036136) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is propyl N-[2-(2-hydroxyethoxy)propyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(2-hydroxyethoxy)propyl]carbamate
PubChem CID54036136
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Namepropyl N-[2-(2-hydroxyethoxy)propyl]carbamate
SMILESCCCOC(=O)NCC(C)OCCO
InChIInChI=1S/C9H19NO4/c1-3-5-14-9(12)10-7-8(2)13-6-4-11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKeyLJBNMTYARPFNHR-UHFFFAOYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-(2-methylpropyl)carbamate
CID 91192078
2-(2-hydroxyethoxy)propylcarbamic acid
CID 87536383
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
propyl 3-propoxybutanoate
CID 175273522
2-hydroxyethyl N-propylcarbamate
CID 15560805
2-(2-aminoethoxy)propylcarbamic acid
CID 175060404
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
CID 106288865
2-propoxypropylhydrazine
CID 166866965
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(2-hydroxyethoxy)propyl]carbamate?
The IUPAC name of propyl N-[2-(2-hydroxyethoxy)propyl]carbamate (CID 54036136) is propyl N-[2-(2-hydroxyethoxy)propyl]carbamate.
What is the SMILES notation for propyl N-[2-(2-hydroxyethoxy)propyl]carbamate?
The canonical SMILES for propyl N-[2-(2-hydroxyethoxy)propyl]carbamate is CCCOC(=O)NCC(C)OCCO.
What is the InChIKey of propyl N-[2-(2-hydroxyethoxy)propyl]carbamate?
The InChIKey is LJBNMTYARPFNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-5-14-9(12)10-7-8(2)13-6-4-11/h8,11H,3-7H2,1-2H3,(H,10,12).
What are the key properties of propyl N-[2-(2-hydroxyethoxy)propyl]carbamate?
propyl N-[2-(2-hydroxyethoxy)propyl]carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(2-hydroxyethoxy)propyl]carbamate is sourced from PubChem (CID 54036136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).