N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide

C25H52N2O5 — CID 87487925

IUPACN-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO
InChIInChI=1S/C25H52N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)26-24(4-2)27(31-22-20-28)32-23-21-29/h24,28-29H,3-23H2,1-2H3,(H,26,30)
InChIKeyPYALVEAPNWLCNX-UHFFFAOYSA-N
MW460.70 g/mol
LogP5.25
Rot. Bonds25

About N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide

N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide (PubChem CID 87487925) has the molecular formula C25H52N2O5 and a molecular weight of 460.70 g/mol. Its IUPAC name is N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide.

Molecular Properties

Compound NameN-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
PubChem CID87487925
Molecular FormulaC25H52N2O5
Molecular Weight460.70 g/mol
Exact Mass460.39
IUPAC NameN-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO
InChIInChI=1S/C25H52N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)26-24(4-2)27(31-22-20-28)32-23-21-29/h24,28-29H,3-23H2,1-2H3,(H,26,30)
InChIKeyPYALVEAPNWLCNX-UHFFFAOYSA-N
XLogP5.25
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.70
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-[bis(2-hydroxyethoxy)amino]ethyl]octadecanamide
CID 87068786
azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
N-[1-[hydroxy(propyl)amino]propyl]docosanamide
CID 175405068
N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 23169646
N-[1-[bis(2-hydroxyethyl)amino]-2-hydroxyethyl]tetradecanamide
CID 170943068
N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-pentan-3-yldocosanamide
CID 123339332
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide?
The IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide (CID 87487925) is N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide.
What is the SMILES notation for N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide?
The canonical SMILES for N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO.
What is the InChIKey of N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide?
The InChIKey is PYALVEAPNWLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(30)26-24(4-2)27(31-22-20-28)32-23-21-29/h24,28-29H,3-23H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide?
N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide has a molecular weight of 460.70 g/mol, XLogP of 5.25, 25 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide is sourced from PubChem (CID 87487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).