2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate

C11H24N2O5 — CID 170901253

IUPAC2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate
SMILESCC(O)COC(=O)NCCCN(CCO)CCO
InChIInChI=1S/C11H24N2O5/c1-10(16)9-18-11(17)12-3-2-4-13(5-7-14)6-8-15/h10,14-16H,2-9H2,1H3,(H,12,17)
InChIKeyPILJLKQTUTUEPJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP-1.23
Rot. Bonds10

About 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate

2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate (PubChem CID 170901253) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate.

Molecular Properties

Compound Name2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate
PubChem CID170901253
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate
SMILESCC(O)COC(=O)NCCCN(CCO)CCO
InChIInChI=1S/C11H24N2O5/c1-10(16)9-18-11(17)12-3-2-4-13(5-7-14)6-8-15/h10,14-16H,2-9H2,1H3,(H,12,17)
InChIKeyPILJLKQTUTUEPJ-UHFFFAOYSA-N
XLogP-1.23
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate?
The IUPAC name of 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate (CID 170901253) is 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate.
What is the SMILES notation for 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate?
The canonical SMILES for 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate is CC(O)COC(=O)NCCCN(CCO)CCO.
What is the InChIKey of 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate?
The InChIKey is PILJLKQTUTUEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5/c1-10(16)9-18-11(17)12-3-2-4-13(5-7-14)6-8-15/h10,14-16H,2-9H2,1H3,(H,12,17).
What are the key properties of 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate?
2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of -1.23, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl N-[3-[bis(2-hydroxyethyl)amino]propyl]carbamate is sourced from PubChem (CID 170901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).