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

C20H41NO3 — CID 10969961

IUPACN-(3-hydroxy-2-pentoxypropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(CO)OCCCCC
InChIInChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-17-19(18-22)24-16-14-6-4-2/h19,22H,3-18H2,1-2H3,(H,21,23)
InChIKeyYYQCYUNCYPSXTM-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.59
Rot. Bonds18

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

N-(3-hydroxy-2-pentoxypropyl)dodecanamide (PubChem CID 10969961) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-(3-hydroxy-2-pentoxypropyl)dodecanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pentoxypropyl)dodecanamide
PubChem CID10969961
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-(3-hydroxy-2-pentoxypropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(CO)OCCCCC
InChIInChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-17-19(18-22)24-16-14-6-4-2/h19,22H,3-18H2,1-2H3,(H,21,23)
InChIKeyYYQCYUNCYPSXTM-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.59
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)hexanamide
CID 11832137
N-[2-[2-[bis(2-hydroxyethyl)amino]ethoxy]butyl]nonanamide
CID 102117676
2-hexadecoxypropane-1,3-diol
CID 12924931
2-bromoethyl [3-(icosanoylamino)-2-nonoxypropyl] hydrogen phosphate
CID 10974508
N-(2-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
CID 10876654
N-(2-heptoxy-3-trityloxypropyl)dodecanamide
CID 11734758
2-[[3-(decanoylamino)-2-dodecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 514210
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-ethoxypropyl)dodecanamide
CID 173205784

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pentoxypropyl)dodecanamide?
The IUPAC name of N-(3-hydroxy-2-pentoxypropyl)dodecanamide (CID 10969961) is N-(3-hydroxy-2-pentoxypropyl)dodecanamide.
What is the SMILES notation for N-(3-hydroxy-2-pentoxypropyl)dodecanamide?
The canonical SMILES for N-(3-hydroxy-2-pentoxypropyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(CO)OCCCCC.
What is the InChIKey of N-(3-hydroxy-2-pentoxypropyl)dodecanamide?
The InChIKey is YYQCYUNCYPSXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-17-19(18-22)24-16-14-6-4-2/h19,22H,3-18H2,1-2H3,(H,21,23).
What are the key properties of N-(3-hydroxy-2-pentoxypropyl)dodecanamide?
N-(3-hydroxy-2-pentoxypropyl)dodecanamide has a molecular weight of 343.55 g/mol, XLogP of 4.59, 18 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)dodecanamide is sourced from PubChem (CID 10969961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).