1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate

C18H38N2O5 — CID 176901148

IUPAC1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
SMILESCN(C)CCOCCNC(=O)OC(CCCCCO)CCCCCO
InChIInChI=1S/C18H38N2O5/c1-20(2)12-16-24-15-11-19-18(23)25-17(9-5-3-7-13-21)10-6-4-8-14-22/h17,21-22H,3-16H2,1-2H3,(H,19,23)
InChIKeySPMNJGKPFHZMRD-UHFFFAOYSA-N
MW362.51 g/mol
LogP1.76
Rot. Bonds17

About 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate

1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate (PubChem CID 176901148) has the molecular formula C18H38N2O5 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
PubChem CID176901148
Molecular FormulaC18H38N2O5
Molecular Weight362.51 g/mol
Exact Mass362.28
IUPAC Name1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
SMILESCN(C)CCOCCNC(=O)OC(CCCCCO)CCCCCO
InChIInChI=1S/C18H38N2O5/c1-20(2)12-16-24-15-11-19-18(23)25-17(9-5-3-7-13-21)10-6-4-8-14-22/h17,21-22H,3-16H2,1-2H3,(H,19,23)
InChIKeySPMNJGKPFHZMRD-UHFFFAOYSA-N
XLogP1.76
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 51.76
H-Bond Donors ≤ 53
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 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The IUPAC name of 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate (CID 176901148) is 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate is CN(C)CCOCCNC(=O)OC(CCCCCO)CCCCCO.
What is the InChIKey of 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
The InChIKey is SPMNJGKPFHZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O5/c1-20(2)12-16-24-15-11-19-18(23)25-17(9-5-3-7-13-21)10-6-4-8-14-22/h17,21-22H,3-16H2,1-2H3,(H,19,23).
What are the key properties of 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate?
1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate has a molecular weight of 362.51 g/mol, XLogP of 1.76, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dihydroxyundecan-6-yl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 176901148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).