N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide

C34H69NO3 — CID 134748261

IUPACN-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
InChIKeyLWIVEZQNNOIDQH-JHOUSYSJSA-N
MW539.93 g/mol
LogP9.79
Rot. Bonds31

About N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide

N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide (PubChem CID 134748261) has the molecular formula C34H69NO3 and a molecular weight of 539.93 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
PubChem CID134748261
Molecular FormulaC34H69NO3
Molecular Weight539.93 g/mol
Exact Mass539.53
IUPAC NameN-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide
SMILESCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC
InChIInChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
InChIKeyLWIVEZQNNOIDQH-JHOUSYSJSA-N
XLogP9.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.93
LogP ≤ 59.79
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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Related Compounds

N-(1,3-dihydroxynonadecan-2-yl)triacontanamide
CID 138226713
N-[(2S,3R)-1,3-dihydroxyhenicosan-2-yl]octadecanamide
CID 134766399
N-(1,3-dihydroxytetradecan-2-yl)nonadecanamide
CID 132994093
N-(1,3-dihydroxyhexadecan-2-yl)hexadecanamide
CID 18006680
N-(1,3-dihydroxynonacosan-2-yl)heptadecanamide
CID 138282108
N-(1,3-dihydroxyicosan-2-yl)octatriacontanamide
CID 138249759
N-(1,3-dihydroxytricosan-2-yl)dotetracontanamide
CID 138129007
N-(1,3-dihydroxyhexacosan-2-yl)henicosanamide
CID 138311427
N-(1,3-dihydroxytriacontan-2-yl)hexadecanamide
CID 138180792
N-(1,3-dihydroxyheptadecan-2-yl)octacosanamide
CID 138221385
N-(1,3-dihydroxytetradecan-2-yl)hentriacontanamide
CID 138137610
N-(1,3-dihydroxyoctacosan-2-yl)hexadecanamide
CID 138148821

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide (CID 134748261) is N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide is CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide?
The InChIKey is LWIVEZQNNOIDQH-JHOUSYSJSA-N. The full InChI is InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide?
N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide has a molecular weight of 539.93 g/mol, XLogP of 9.79, 31 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]nonadecanamide is sourced from PubChem (CID 134748261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).