N-(2-heptoxy-3-hydroxypropyl)tetradecanamide

C24H49NO3 — CID 10971372

IUPACN-(2-heptoxy-3-hydroxypropyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(CO)OCCCCCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-24(27)25-21-23(22-26)28-20-18-16-8-6-4-2/h23,26H,3-22H2,1-2H3,(H,25,27)
InChIKeySWPFIMFETWXKJT-UHFFFAOYSA-N
MW399.66 g/mol
LogP6.15
Rot. Bonds22

About N-(2-heptoxy-3-hydroxypropyl)tetradecanamide

N-(2-heptoxy-3-hydroxypropyl)tetradecanamide (PubChem CID 10971372) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is N-(2-heptoxy-3-hydroxypropyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-heptoxy-3-hydroxypropyl)tetradecanamide
PubChem CID10971372
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC NameN-(2-heptoxy-3-hydroxypropyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(CO)OCCCCCCC
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-24(27)25-21-23(22-26)28-20-18-16-8-6-4-2/h23,26H,3-22H2,1-2H3,(H,25,27)
InChIKeySWPFIMFETWXKJT-UHFFFAOYSA-N
XLogP6.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 56.15
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-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
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-heptoxy-3-trityloxypropyl)dodecanamide
CID 11734758
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
CID 10876654
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-(2-heptoxy-3-hydroxypropyl)tetradecanamide?
The IUPAC name of N-(2-heptoxy-3-hydroxypropyl)tetradecanamide (CID 10971372) is N-(2-heptoxy-3-hydroxypropyl)tetradecanamide.
What is the SMILES notation for N-(2-heptoxy-3-hydroxypropyl)tetradecanamide?
The canonical SMILES for N-(2-heptoxy-3-hydroxypropyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(CO)OCCCCCCC.
What is the InChIKey of N-(2-heptoxy-3-hydroxypropyl)tetradecanamide?
The InChIKey is SWPFIMFETWXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-3-5-7-9-10-11-12-13-14-15-17-19-24(27)25-21-23(22-26)28-20-18-16-8-6-4-2/h23,26H,3-22H2,1-2H3,(H,25,27).
What are the key properties of N-(2-heptoxy-3-hydroxypropyl)tetradecanamide?
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide has a molecular weight of 399.66 g/mol, XLogP of 6.15, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-heptoxy-3-hydroxypropyl)tetradecanamide is sourced from PubChem (CID 10971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).