N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide

C23H47NO2 — CID 18431763

IUPACN-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
SMILESCC(C)CCCCCCCCCCCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C23H47NO2/c1-21(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(26)24-22(3)20-25/h21-22,25H,4-20H2,1-3H3,(H,24,26)
InChIKeyWTEQURDNJOMFQJ-UHFFFAOYSA-N
MW369.63 g/mol
LogP6.38
Rot. Bonds19

About N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide

N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide (PubChem CID 18431763) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
PubChem CID18431763
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC NameN-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
SMILESCC(C)CCCCCCCCCCCCCCCCC(=O)NC(C)CO
InChIInChI=1S/C23H47NO2/c1-21(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(26)24-22(3)20-25/h21-22,25H,4-20H2,1-3H3,(H,24,26)
InChIKeyWTEQURDNJOMFQJ-UHFFFAOYSA-N
XLogP6.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 56.38
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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Related Compounds

N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
5-chloro-N-(1-hydroxypropan-2-yl)pentanamide
CID 61251203
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
CID 57354386
CID 57354386
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
7-methyl-N-oxidooctanamide
CID 56842822
11-methyl-N-oxidododecanamide
CID 71301385

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide (CID 18431763) is N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide is CC(C)CCCCCCCCCCCCCCCCC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide?
The InChIKey is WTEQURDNJOMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2/c1-21(2)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(26)24-22(3)20-25/h21-22,25H,4-20H2,1-3H3,(H,24,26).
What are the key properties of N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide?
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide has a molecular weight of 369.63 g/mol, XLogP of 6.38, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide is sourced from PubChem (CID 18431763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).