N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide

C17H34N2O6 — CID 166071736

IUPACN,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
SMILESCC(O)CN(CC(C)O)C(=O)CCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C17H34N2O6/c1-12(20)8-18(9-13(2)21)16(24)6-5-7-17(25)19(10-14(3)22)11-15(4)23/h12-15,20-23H,5-11H2,1-4H3
InChIKeyKLIGGWKEYPNJDR-UHFFFAOYSA-N
MW362.47 g/mol
LogP-0.66
Rot. Bonds12

About N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide

N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide (PubChem CID 166071736) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
PubChem CID166071736
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC NameN,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
SMILESCC(O)CN(CC(C)O)C(=O)CCCC(=O)N(CC(C)O)CC(C)O
InChIInChI=1S/C17H34N2O6/c1-12(20)8-18(9-13(2)21)16(24)6-5-7-17(25)19(10-14(3)22)11-15(4)23/h12-15,20-23H,5-11H2,1-4H3
InChIKeyKLIGGWKEYPNJDR-UHFFFAOYSA-N
XLogP-0.66
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide (CID 166071736) is N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide is CC(O)CN(CC(C)O)C(=O)CCCC(=O)N(CC(C)O)CC(C)O.
What is the InChIKey of N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide?
The InChIKey is KLIGGWKEYPNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O6/c1-12(20)8-18(9-13(2)21)16(24)6-5-7-17(25)19(10-14(3)22)11-15(4)23/h12-15,20-23H,5-11H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide?
N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide has a molecular weight of 362.47 g/mol, XLogP of -0.66, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide is sourced from PubChem (CID 166071736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).