N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide

C32H68N4O2 — CID 153313042

IUPACN-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide
SMILESCCCCCC(O)CC(CC(=O)NCCCN(CCCC)CCCC)NCCCN(CCCC)CCCC
InChIInChI=1S/C32H68N4O2/c1-6-11-16-19-31(37)28-30(33-20-17-26-35(22-12-7-2)23-13-8-3)29-32(38)34-21-18-27-36(24-14-9-4)25-15-10-5/h30-31,33,37H,6-29H2,1-5H3,(H,34,38)
InChIKeyIFMGWVDHCJPQLM-UHFFFAOYSA-N
MW540.92 g/mol
LogP6.37
Rot. Bonds29

About N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide

N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide (PubChem CID 153313042) has the molecular formula C32H68N4O2 and a molecular weight of 540.92 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide
PubChem CID153313042
Molecular FormulaC32H68N4O2
Molecular Weight540.92 g/mol
Exact Mass540.53
IUPAC NameN-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide
SMILESCCCCCC(O)CC(CC(=O)NCCCN(CCCC)CCCC)NCCCN(CCCC)CCCC
InChIInChI=1S/C32H68N4O2/c1-6-11-16-19-31(37)28-30(33-20-17-26-35(22-12-7-2)23-13-8-3)29-32(38)34-21-18-27-36(24-14-9-4)25-15-10-5/h30-31,33,37H,6-29H2,1-5H3,(H,34,38)
InChIKeyIFMGWVDHCJPQLM-UHFFFAOYSA-N
XLogP6.37
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.92
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide (CID 153313042) is N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide is CCCCCC(O)CC(CC(=O)NCCCN(CCCC)CCCC)NCCCN(CCCC)CCCC.
What is the InChIKey of N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide?
The InChIKey is IFMGWVDHCJPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68N4O2/c1-6-11-16-19-31(37)28-30(33-20-17-26-35(22-12-7-2)23-13-8-3)29-32(38)34-21-18-27-36(24-14-9-4)25-15-10-5/h30-31,33,37H,6-29H2,1-5H3,(H,34,38).
What are the key properties of N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide?
N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide has a molecular weight of 540.92 g/mol, XLogP of 6.37, 29 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-3-[3-(dibutylamino)propylamino]-5-hydroxydecanamide is sourced from PubChem (CID 153313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).