N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide

C24H46N2O6 — CID 141484962

IUPACN,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide
SMILESCCCCCCC=CC(CC(=O)N(CCCO)CCCO)C(=O)N(CCCO)CCCO
InChIInChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-12-22(24(32)26(15-10-19-29)16-11-20-30)21-23(31)25(13-8-17-27)14-9-18-28/h7,12,22,27-30H,2-6,8-11,13-21H2,1H3
InChIKeyQAKLRTRQVARQTE-UHFFFAOYSA-N
MW458.64 g/mol
LogP1.71
Rot. Bonds21

About N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide

N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide (PubChem CID 141484962) has the molecular formula C24H46N2O6 and a molecular weight of 458.64 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide
PubChem CID141484962
Molecular FormulaC24H46N2O6
Molecular Weight458.64 g/mol
Exact Mass458.34
IUPAC NameN,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide
SMILESCCCCCCC=CC(CC(=O)N(CCCO)CCCO)C(=O)N(CCCO)CCCO
InChIInChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-12-22(24(32)26(15-10-19-29)16-11-20-30)21-23(31)25(13-8-17-27)14-9-18-28/h7,12,22,27-30H,2-6,8-11,13-21H2,1H3
InChIKeyQAKLRTRQVARQTE-UHFFFAOYSA-N
XLogP1.71
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-Dodec-1-enyl-1-(1-hydroxyethyl)pyrrolidine-2,5-dione
CID 67837878
1-(3-Hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione
CID 67894712
3-Dodec-1-enyl-1-(4-hydroxybutyl)pyrrolidine-2,5-dione
CID 67894776
3-[Bis(2-hydroxyethyl)carbamoyl]pentadec-4-enoic acid
CID 87148245
2-dodec-1-enyl-N,N,N',N'-tetrakis(2-hydroxyethyl)butanediamide
CID 87981234
N,N,N',N'-tetrakis(2-hydroxyethyl)-2-[(E)-oct-2-enyl]butanediamide
CID 88931348
2-[(E)-dodec-2-enyl]-N,N,N',N'-tetrakis(2-hydroxyethyl)butanediamide
CID 88931399
N'-(3-hydroxypropyl)-2-[(E)-tetradec-1-enyl]butanediamide
CID 140362634
2-dec-1-enyl-N,N-bis(2-hydroxyethyl)butanediamide
CID 141484951
2-dodec-1-enyl-N-(3-hydroxypropyl)butanediamide
CID 141484953
N,N-bis(3-hydroxypropyl)-2-pent-1-enylbutanediamide
CID 141484954
2-[2-[Bis(3-hydroxypropyl)amino]-2-oxoethyl]tetradec-3-enoic acid
CID 141484955

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide?
The IUPAC name of N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide (CID 141484962) is N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide is CCCCCCC=CC(CC(=O)N(CCCO)CCCO)C(=O)N(CCCO)CCCO.
What is the InChIKey of N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide?
The InChIKey is QAKLRTRQVARQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O6/c1-2-3-4-5-6-7-12-22(24(32)26(15-10-19-29)16-11-20-30)21-23(31)25(13-8-17-27)14-9-18-28/h7,12,22,27-30H,2-6,8-11,13-21H2,1H3.
What are the key properties of N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide?
N,N,N',N'-tetrakis(3-hydroxypropyl)-2-oct-1-enylbutanediamide has a molecular weight of 458.64 g/mol, XLogP of 1.71, 21 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(3-hydroxypropyl)-2-oct-1-enylbutanediamide is sourced from PubChem (CID 141484962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).