N-[1-[hydroxy(propyl)amino]propyl]docosanamide

C28H58N2O2 — CID 175405068

IUPACN-[1-[hydroxy(propyl)amino]propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(O)CCC
InChIInChI=1S/C28H58N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(31)29-27(6-3)30(32)26-5-2/h27,32H,4-26H2,1-3H3,(H,29,31)
InChIKeyQIHFZEJKOSUCSU-UHFFFAOYSA-N
MW454.78 g/mol
LogP8.76
Rot. Bonds25

About N-[1-[hydroxy(propyl)amino]propyl]docosanamide

N-[1-[hydroxy(propyl)amino]propyl]docosanamide (PubChem CID 175405068) has the molecular formula C28H58N2O2 and a molecular weight of 454.78 g/mol. Its IUPAC name is N-[1-[hydroxy(propyl)amino]propyl]docosanamide.

Molecular Properties

Compound NameN-[1-[hydroxy(propyl)amino]propyl]docosanamide
PubChem CID175405068
Molecular FormulaC28H58N2O2
Molecular Weight454.78 g/mol
Exact Mass454.45
IUPAC NameN-[1-[hydroxy(propyl)amino]propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(O)CCC
InChIInChI=1S/C28H58N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(31)29-27(6-3)30(32)26-5-2/h27,32H,4-26H2,1-3H3,(H,29,31)
InChIKeyQIHFZEJKOSUCSU-UHFFFAOYSA-N
XLogP8.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 23169646
N-pentan-3-yldocosanamide
CID 123339332
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-[1-[bis(2-hydroxyethyl)amino]-2-hydroxyethyl]tetradecanamide
CID 170943068
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
CID 87487925
N-(1-hydroxybutyl)decanamide
CID 87762139
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-[1-[ethyl(propyl)amino]ethyl]octadecanamide
CID 87289347

Frequently Asked Questions

What is the IUPAC name of N-[1-[hydroxy(propyl)amino]propyl]docosanamide?
The IUPAC name of N-[1-[hydroxy(propyl)amino]propyl]docosanamide (CID 175405068) is N-[1-[hydroxy(propyl)amino]propyl]docosanamide.
What is the SMILES notation for N-[1-[hydroxy(propyl)amino]propyl]docosanamide?
The canonical SMILES for N-[1-[hydroxy(propyl)amino]propyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(O)CCC.
What is the InChIKey of N-[1-[hydroxy(propyl)amino]propyl]docosanamide?
The InChIKey is QIHFZEJKOSUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(31)29-27(6-3)30(32)26-5-2/h27,32H,4-26H2,1-3H3,(H,29,31).
What are the key properties of N-[1-[hydroxy(propyl)amino]propyl]docosanamide?
N-[1-[hydroxy(propyl)amino]propyl]docosanamide has a molecular weight of 454.78 g/mol, XLogP of 8.76, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[hydroxy(propyl)amino]propyl]docosanamide is sourced from PubChem (CID 175405068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).