N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide

C23H48N2O2 — CID 139986258

IUPACN-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)NCCCN(C)C
InChIInChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(26)23(27)24-20-18-21-25(2)3/h22,26H,4-21H2,1-3H3,(H,24,27)
InChIKeyBWWOYDIVTDEHAL-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.29
Rot. Bonds20

About N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide

N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide (PubChem CID 139986258) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
PubChem CID139986258
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC NameN-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCC(O)C(=O)NCCCN(C)C
InChIInChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(26)23(27)24-20-18-21-25(2)3/h22,26H,4-21H2,1-3H3,(H,24,27)
InChIKeyBWWOYDIVTDEHAL-UHFFFAOYSA-N
XLogP5.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ceramide NG
CID 5283573
Hydroxypalmitoyl Sphinganine
CID 9959390
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
Hydroxystearamide monoethanolamide
CID 97916
Myristic monoisopropanolamide
CID 111657
Stearic monoisopropanolamide
CID 118247
N,N'-Ethylenebis-12-hydroxystearamide
CID 61058
Cer(d18:0/26:0)
CID 644245
N-tetracosanoylsphinganine
CID 5283577
Palmitamidohexadecanediol
CID 15511094

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide (CID 139986258) is N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide is CCCCCCCCCCCCCCCCC(O)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide?
The InChIKey is BWWOYDIVTDEHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(26)23(27)24-20-18-21-25(2)3/h22,26H,4-21H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide?
N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide has a molecular weight of 384.65 g/mol, XLogP of 5.29, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide is sourced from PubChem (CID 139986258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).