(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide

C22H45NO3 — CID 162927990

IUPAC(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide
SMILESCCCCCCC[C@H](C)CCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C22H45NO3/c1-3-4-5-9-12-15-20(2)16-13-10-7-6-8-11-14-17-22(26)23-21(18-24)19-25/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyUGSNCUBVHQGYKO-FQEVSTJZSA-N
MW371.61 g/mol
LogP4.96
Rot. Bonds19

About (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide

(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide (PubChem CID 162927990) has the molecular formula C22H45NO3 and a molecular weight of 371.61 g/mol. Its IUPAC name is (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide.

Molecular Properties

Compound Name(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide
PubChem CID162927990
Molecular FormulaC22H45NO3
Molecular Weight371.61 g/mol
Exact Mass371.34
IUPAC Name(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide
SMILESCCCCCCC[C@H](C)CCCCCCCCCC(=O)NC(CO)CO
InChIInChI=1S/C22H45NO3/c1-3-4-5-9-12-15-20(2)16-13-10-7-6-8-11-14-17-22(26)23-21(18-24)19-25/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyUGSNCUBVHQGYKO-FQEVSTJZSA-N
XLogP4.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide?
The IUPAC name of (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide (CID 162927990) is (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide.
What is the SMILES notation for (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide?
The canonical SMILES for (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide is CCCCCCC[C@H](C)CCCCCCCCCC(=O)NC(CO)CO.
What is the InChIKey of (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide?
The InChIKey is UGSNCUBVHQGYKO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H45NO3/c1-3-4-5-9-12-15-20(2)16-13-10-7-6-8-11-14-17-22(26)23-21(18-24)19-25/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide?
(11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide has a molecular weight of 371.61 g/mol, XLogP of 4.96, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-N-(1,3-dihydroxypropan-2-yl)-11-methyloctadecanamide is sourced from PubChem (CID 162927990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).