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

C29H60N2O5 — CID 175605896

IUPACN-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO
InChIInChI=1S/C29H60N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(34)30-28(4-2)31(35-26-24-32)36-27-25-33/h28,32-33H,3-27H2,1-2H3,(H,30,34)
InChIKeyFPWQVUWAFGDHJU-UHFFFAOYSA-N
MW516.81 g/mol
LogP6.81
Rot. Bonds29

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

N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide (PubChem CID 175605896) has the molecular formula C29H60N2O5 and a molecular weight of 516.81 g/mol. Its IUPAC name is N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide.

Molecular Properties

Compound NameN-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
PubChem CID175605896
Molecular FormulaC29H60N2O5
Molecular Weight516.81 g/mol
Exact Mass516.45
IUPAC NameN-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO
InChIInChI=1S/C29H60N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(34)30-28(4-2)31(35-26-24-32)36-27-25-33/h28,32-33H,3-27H2,1-2H3,(H,30,34)
InChIKeyFPWQVUWAFGDHJU-UHFFFAOYSA-N
XLogP6.81
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.81
LogP ≤ 56.81
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]octadecanamide
CID 87487925
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-[bis(2-hydroxyethyl)amino]-2-hydroxyethyl]tetradecanamide
CID 170943068
N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 23169646
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
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide?
The IUPAC name of N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide (CID 175605896) is N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide.
What is the SMILES notation for N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide?
The canonical SMILES for N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CC)N(OCCO)OCCO.
What is the InChIKey of N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide?
The InChIKey is FPWQVUWAFGDHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(34)30-28(4-2)31(35-26-24-32)36-27-25-33/h28,32-33H,3-27H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide?
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide has a molecular weight of 516.81 g/mol, XLogP of 6.81, 29 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]docosanamide is sourced from PubChem (CID 175605896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).