N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide

C22H45NO4 — CID 10150593

IUPACN-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)O
InChIInChI=1S/C22H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(18-21(26)19-24)22(27)20(2)25/h20-21,24-26H,3-19H2,1-2H3
InChIKeyIGFYNYMBUUWYFC-UHFFFAOYSA-N
MW387.61 g/mol
LogP4.03
Rot. Bonds19

About N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide

N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide (PubChem CID 10150593) has the molecular formula C22H45NO4 and a molecular weight of 387.61 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
PubChem CID10150593
Molecular FormulaC22H45NO4
Molecular Weight387.61 g/mol
Exact Mass387.33
IUPAC NameN-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)O
InChIInChI=1S/C22H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(18-21(26)19-24)22(27)20(2)25/h20-21,24-26H,3-19H2,1-2H3
InChIKeyIGFYNYMBUUWYFC-UHFFFAOYSA-N
XLogP4.03
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-2-hydroxy-N-octadeca-9,12-dienylpropanamide
CID 91520523
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
N-(2,3-dihydroxypropyl)-3-ethyl-N-icos-8-enyloctanamide
CID 54159399
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-amino-N,N-dihexylpropanamide
CID 54872127
2-chloro-N,N-dihexylpropanamide
CID 533081
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
3-[benzyl(octyl)amino]propane-1,2-diol;2-hydroxypropanoic acid
CID 173440308
N-(2,3-dihydroxypropyl)-2-methyl-N-octadecan-5-ylhexadecanamide
CID 18999325

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide (CID 10150593) is N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide is CCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)C(C)O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide?
The InChIKey is IGFYNYMBUUWYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(18-21(26)19-24)22(27)20(2)25/h20-21,24-26H,3-19H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide?
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide has a molecular weight of 387.61 g/mol, XLogP of 4.03, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide is sourced from PubChem (CID 10150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).