[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate

C24H47NO4 — CID 124583855

IUPAC[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate
SMILESCC[C@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)[C@@H](C)O
InChIInChI=1S/C24H47NO4/c1-5-23(29-24(28)21(4)26)25-22(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20(2)3/h20-21,23,26H,5-19H2,1-4H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyFANMKHSDDAMPGU-FYYLOGMGSA-N
MW413.64 g/mol
LogP5.88
Rot. Bonds19

About [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate

[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate (PubChem CID 124583855) has the molecular formula C24H47NO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate
PubChem CID124583855
Molecular FormulaC24H47NO4
Molecular Weight413.64 g/mol
Exact Mass413.35
IUPAC Name[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate
SMILESCC[C@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)[C@@H](C)O
InChIInChI=1S/C24H47NO4/c1-5-23(29-24(28)21(4)26)25-22(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20(2)3/h20-21,23,26H,5-19H2,1-4H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyFANMKHSDDAMPGU-FYYLOGMGSA-N
XLogP5.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
(2S)-3-methyl-2-(13-methyltetradecanoylamino)pentanoic acid
CID 87871301
N-methoxy-7-methyloctanamide
CID 174552254
7-methyl-N-oxidooctanamide
CID 56842822
11-methyl-N-oxidododecanamide
CID 71301385
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
(1-carboxy-17-methyloctadecyl)-[1-[[(12R)-12-hydroxyoctadec-9-enoyl]amino]propoxycarbonyl]-dimethylazanium
CID 91464634
N-butyl-7-methyloctanamide
CID 154028337
2-ethylbutyl 12-methyltridecanoate
CID 24821354
(hexadecanoylamino) 6-methylheptanoate
CID 88510507
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate?
The IUPAC name of [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate (CID 124583855) is [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate.
What is the SMILES notation for [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate?
The canonical SMILES for [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate is CC[C@H](NC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)[C@@H](C)O.
What is the InChIKey of [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate?
The InChIKey is FANMKHSDDAMPGU-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H47NO4/c1-5-23(29-24(28)21(4)26)25-22(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20(2)3/h20-21,23,26H,5-19H2,1-4H3,(H,25,27)/t21-,23-/m1/s1.
What are the key properties of [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate?
[(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate has a molecular weight of 413.64 g/mol, XLogP of 5.88, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(16-methylheptadecanoylamino)propyl] (2R)-2-hydroxypropanoate is sourced from PubChem (CID 124583855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).