N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide

C16H34N2O4 — CID 102117656

IUPACN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide
SMILESCCCCCCC(=O)NCC(C)OCCN(CCO)CCO
InChIInChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(21)17-14-15(2)22-13-10-18(8-11-19)9-12-20/h15,19-20H,3-14H2,1-2H3,(H,17,21)
InChIKeyLEDTVJRJAYGZFL-UHFFFAOYSA-N
MW318.46 g/mol
LogP0.76
Rot. Bonds15

About N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide

N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide (PubChem CID 102117656) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide.

Molecular Properties

Compound NameN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide
PubChem CID102117656
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC NameN-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide
SMILESCCCCCCC(=O)NCC(C)OCCN(CCO)CCO
InChIInChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(21)17-14-15(2)22-13-10-18(8-11-19)9-12-20/h15,19-20H,3-14H2,1-2H3,(H,17,21)
InChIKeyLEDTVJRJAYGZFL-UHFFFAOYSA-N
XLogP0.76
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]nonanamide
CID 102117658
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
CID 102117676
N-(2-ethoxypropyl)dodecanamide
CID 173205784
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)propanoic acid
CID 86588604
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide?
The IUPAC name of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide (CID 102117656) is N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide.
What is the SMILES notation for N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide?
The canonical SMILES for N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide is CCCCCCC(=O)NCC(C)OCCN(CCO)CCO.
What is the InChIKey of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide?
The InChIKey is LEDTVJRJAYGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4/c1-3-4-5-6-7-16(21)17-14-15(2)22-13-10-18(8-11-19)9-12-20/h15,19-20H,3-14H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide?
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]propyl]heptanamide has a molecular weight of 318.46 g/mol, XLogP of 0.76, 15 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]propyl]heptanamide is sourced from PubChem (CID 102117656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).