N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide

C21H44N2O2 — CID 102462917

IUPACN-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCN(C)CCO
InChIInChI=1S/C21H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)22-17-15-18-23(2)19-20-24/h24H,3-20H2,1-2H3,(H,22,25)
InChIKeyOWJNWKBPSDECAX-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.51
Rot. Bonds19

About N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide

N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide (PubChem CID 102462917) has the molecular formula C21H44N2O2 and a molecular weight of 356.60 g/mol. Its IUPAC name is N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
PubChem CID102462917
Molecular FormulaC21H44N2O2
Molecular Weight356.60 g/mol
Exact Mass356.34
IUPAC NameN-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
SMILESCCCCCCCCCCCCCCC(=O)NCCCN(C)CCO
InChIInChI=1S/C21H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)22-17-15-18-23(2)19-20-24/h24H,3-20H2,1-2H3,(H,22,25)
InChIKeyOWJNWKBPSDECAX-UHFFFAOYSA-N
XLogP4.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.51
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

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CID 58040616
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3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
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(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509
N-[3-[3-acetamidopropyl(methyl)amino]propyl]octadec-9-enamide
CID 154225120
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-(3-hydroxypropyl)docosanamide
CID 87200048
CID 140756261
CID 140756261
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
6-hydroxy-N-tetradecylhexanamide
CID 20542961

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide?
The IUPAC name of N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide (CID 102462917) is N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide is CCCCCCCCCCCCCCC(=O)NCCCN(C)CCO.
What is the InChIKey of N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide?
The InChIKey is OWJNWKBPSDECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21(25)22-17-15-18-23(2)19-20-24/h24H,3-20H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide?
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide has a molecular weight of 356.60 g/mol, XLogP of 4.51, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide is sourced from PubChem (CID 102462917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).