N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide

C24H34N2O6 — CID 3027024

IUPACN-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide
SMILESO=C(NCCCCCOc1ccc(N(CC(O)CO)CC(O)CO)cc1)c1ccccc1
InChIInChI=1S/C24H34N2O6/c27-17-21(29)15-26(16-22(30)18-28)20-9-11-23(12-10-20)32-14-6-2-5-13-25-24(31)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,27-30H,2,5-6,13-18H2,(H,25,31)
InChIKeyRMHRLHWWWNUBLZ-UHFFFAOYSA-N
MW446.54 g/mol
LogP1.18
Rot. Bonds15

About N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide

N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide (PubChem CID 3027024) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide
PubChem CID3027024
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC NameN-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide
SMILESO=C(NCCCCCOc1ccc(N(CC(O)CO)CC(O)CO)cc1)c1ccccc1
InChIInChI=1S/C24H34N2O6/c27-17-21(29)15-26(16-22(30)18-28)20-9-11-23(12-10-20)32-14-6-2-5-13-25-24(31)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,27-30H,2,5-6,13-18H2,(H,25,31)
InChIKeyRMHRLHWWWNUBLZ-UHFFFAOYSA-N
XLogP1.18
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide?
The IUPAC name of N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide (CID 3027024) is N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide.
What is the SMILES notation for N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide?
The canonical SMILES for N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide is O=C(NCCCCCOc1ccc(N(CC(O)CO)CC(O)CO)cc1)c1ccccc1.
What is the InChIKey of N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide?
The InChIKey is RMHRLHWWWNUBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c27-17-21(29)15-26(16-22(30)18-28)20-9-11-23(12-10-20)32-14-6-2-5-13-25-24(31)19-7-3-1-4-8-19/h1,3-4,7-12,21-22,27-30H,2,5-6,13-18H2,(H,25,31).
What are the key properties of N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide?
N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide has a molecular weight of 446.54 g/mol, XLogP of 1.18, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[bis(2,3-dihydroxypropyl)amino]phenoxy]pentyl]benzamide is sourced from PubChem (CID 3027024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).