N-(2-hydroxypropyl)-16-methylheptadecanamide

C21H43NO2 — CID 15825518

IUPACN-(2-hydroxypropyl)-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C21H43NO2/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(24)22-18-20(3)23/h19-20,23H,4-18H2,1-3H3,(H,22,24)
InChIKeyBQMLMKGBPOALFD-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.60
Rot. Bonds17

About N-(2-hydroxypropyl)-16-methylheptadecanamide

N-(2-hydroxypropyl)-16-methylheptadecanamide (PubChem CID 15825518) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-16-methylheptadecanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-16-methylheptadecanamide
PubChem CID15825518
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC NameN-(2-hydroxypropyl)-16-methylheptadecanamide
SMILESCC(C)CCCCCCCCCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C21H43NO2/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(24)22-18-20(3)23/h19-20,23H,4-18H2,1-3H3,(H,22,24)
InChIKeyBQMLMKGBPOALFD-UHFFFAOYSA-N
XLogP5.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-16-methylheptadecanamide?
The IUPAC name of N-(2-hydroxypropyl)-16-methylheptadecanamide (CID 15825518) is N-(2-hydroxypropyl)-16-methylheptadecanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-16-methylheptadecanamide?
The canonical SMILES for N-(2-hydroxypropyl)-16-methylheptadecanamide is CC(C)CCCCCCCCCCCCCCC(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-16-methylheptadecanamide?
The InChIKey is BQMLMKGBPOALFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(24)22-18-20(3)23/h19-20,23H,4-18H2,1-3H3,(H,22,24).
What are the key properties of N-(2-hydroxypropyl)-16-methylheptadecanamide?
N-(2-hydroxypropyl)-16-methylheptadecanamide has a molecular weight of 341.58 g/mol, XLogP of 5.60, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-16-methylheptadecanamide is sourced from PubChem (CID 15825518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).