N-(3-hydroxy-2-pentoxypropyl)hexanamide

C14H29NO3 — CID 11832137

IUPACN-(3-hydroxy-2-pentoxypropyl)hexanamide
SMILESCCCCCOC(CO)CNC(=O)CCCCC
InChIInChI=1S/C14H29NO3/c1-3-5-7-9-14(17)15-11-13(12-16)18-10-8-6-4-2/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyJTLZUPHXTCKDCH-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.25
Rot. Bonds12

About N-(3-hydroxy-2-pentoxypropyl)hexanamide

N-(3-hydroxy-2-pentoxypropyl)hexanamide (PubChem CID 11832137) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3-hydroxy-2-pentoxypropyl)hexanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pentoxypropyl)hexanamide
PubChem CID11832137
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-(3-hydroxy-2-pentoxypropyl)hexanamide
SMILESCCCCCOC(CO)CNC(=O)CCCCC
InChIInChI=1S/C14H29NO3/c1-3-5-7-9-14(17)15-11-13(12-16)18-10-8-6-4-2/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyJTLZUPHXTCKDCH-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
CID 102117676
2-bromoethyl [3-(icosanoylamino)-2-nonoxypropyl] hydrogen phosphate
CID 10974508
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
2-hexadecoxypropane-1,3-diol
CID 12924931
N-(2-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-heptoxy-3-trityloxypropyl)dodecanamide
CID 11734758
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
CID 10876654
2-[[3-(decanoylamino)-2-dodecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 514210
[3-(dodecanoylamino)-2-heptoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 11082068

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pentoxypropyl)hexanamide?
The IUPAC name of N-(3-hydroxy-2-pentoxypropyl)hexanamide (CID 11832137) is N-(3-hydroxy-2-pentoxypropyl)hexanamide.
What is the SMILES notation for N-(3-hydroxy-2-pentoxypropyl)hexanamide?
The canonical SMILES for N-(3-hydroxy-2-pentoxypropyl)hexanamide is CCCCCOC(CO)CNC(=O)CCCCC.
What is the InChIKey of N-(3-hydroxy-2-pentoxypropyl)hexanamide?
The InChIKey is JTLZUPHXTCKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-5-7-9-14(17)15-11-13(12-16)18-10-8-6-4-2/h13,16H,3-12H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-pentoxypropyl)hexanamide?
N-(3-hydroxy-2-pentoxypropyl)hexanamide has a molecular weight of 259.39 g/mol, XLogP of 2.25, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pentoxypropyl)hexanamide is sourced from PubChem (CID 11832137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).