12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide

C21H37N3O2 — CID 71524774

IUPAC12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide
SMILESCN(C)CCCCCCCCCCCC(=O)NCC(O)c1cccnc1
InChIInChI=1S/C21H37N3O2/c1-24(2)16-11-9-7-5-3-4-6-8-10-14-21(26)23-18-20(25)19-13-12-15-22-17-19/h12-13,15,17,20,25H,3-11,14,16,18H2,1-2H3,(H,23,26)
InChIKeyBBXAGRFPLYJTHX-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.69
Rot. Bonds15

About 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide

12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide (PubChem CID 71524774) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide.

Molecular Properties

Compound Name12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide
PubChem CID71524774
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide
SMILESCN(C)CCCCCCCCCCCC(=O)NCC(O)c1cccnc1
InChIInChI=1S/C21H37N3O2/c1-24(2)16-11-9-7-5-3-4-6-8-10-14-21(26)23-18-20(25)19-13-12-15-22-17-19/h12-13,15,17,20,25H,3-11,14,16,18H2,1-2H3,(H,23,26)
InChIKeyBBXAGRFPLYJTHX-UHFFFAOYSA-N
XLogP3.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide?
The IUPAC name of 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide (CID 71524774) is 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide.
What is the SMILES notation for 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide?
The canonical SMILES for 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide is CN(C)CCCCCCCCCCCC(=O)NCC(O)c1cccnc1.
What is the InChIKey of 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide?
The InChIKey is BBXAGRFPLYJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-24(2)16-11-9-7-5-3-4-6-8-10-14-21(26)23-18-20(25)19-13-12-15-22-17-19/h12-13,15,17,20,25H,3-11,14,16,18H2,1-2H3,(H,23,26).
What are the key properties of 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide?
12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide has a molecular weight of 363.55 g/mol, XLogP of 3.69, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dimethylamino)-N-(2-hydroxy-2-pyridin-3-ylethyl)dodecanamide is sourced from PubChem (CID 71524774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).