N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide

C19H40N2O4 — CID 102117676

IUPACN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
SMILESCCCCCCCCC(=O)NCC(CC)OCCN(CCO)CCO
InChIInChI=1S/C19H40N2O4/c1-3-5-6-7-8-9-10-19(24)20-17-18(4-2)25-16-13-21(11-14-22)12-15-23/h18,22-23H,3-17H2,1-2H3,(H,20,24)
InChIKeyZCKKIZSZRFJMCX-UHFFFAOYSA-N
MW360.54 g/mol
LogP1.93
Rot. Bonds18

About N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide

N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide (PubChem CID 102117676) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide.

Molecular Properties

Compound NameN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
PubChem CID102117676
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC NameN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
SMILESCCCCCCCCC(=O)NCC(CC)OCCN(CCO)CCO
InChIInChI=1S/C19H40N2O4/c1-3-5-6-7-8-9-10-19(24)20-17-18(4-2)25-16-13-21(11-14-22)12-15-23/h18,22-23H,3-17H2,1-2H3,(H,20,24)
InChIKeyZCKKIZSZRFJMCX-UHFFFAOYSA-N
XLogP1.93
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]nonanamide
CID 102117658
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide
CID 102117656
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
[2-[3-[3-[1,3-di(octanoyloxy)propan-2-yloxy]propyl-(2-hydroxyethyl)amino]propoxy]-3-octanoyloxypropyl] octanoate
CID 171749608
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)propanoic acid
CID 86588604
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
heptadecan-9-yl 8-[2-hydroxyethyl-(5-oxo-5-undecan-3-yloxypentyl)amino]octanoate
CID 153439718

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide?
The IUPAC name of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide (CID 102117676) is N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide.
What is the SMILES notation for N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide?
The canonical SMILES for N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide is CCCCCCCCC(=O)NCC(CC)OCCN(CCO)CCO.
What is the InChIKey of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide?
The InChIKey is ZCKKIZSZRFJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O4/c1-3-5-6-7-8-9-10-19(24)20-17-18(4-2)25-16-13-21(11-14-22)12-15-23/h18,22-23H,3-17H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide?
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide has a molecular weight of 360.54 g/mol, XLogP of 1.93, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide is sourced from PubChem (CID 102117676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).