12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide

C22H38N2O2 — CID 71524722

IUPAC12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide
SMILESCN(C)CCCCCCCCCCCC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C22H38N2O2/c1-24(2)18-14-9-7-5-3-4-6-8-13-17-22(26)23-19-21(25)20-15-11-10-12-16-20/h10-12,15-16,21,25H,3-9,13-14,17-19H2,1-2H3,(H,23,26)
InChIKeyAKNVGMDAOUHYPC-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.30
Rot. Bonds15

About 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide

12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide (PubChem CID 71524722) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide.

Molecular Properties

Compound Name12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide
PubChem CID71524722
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide
SMILESCN(C)CCCCCCCCCCCC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C22H38N2O2/c1-24(2)18-14-9-7-5-3-4-6-8-13-17-22(26)23-19-21(25)20-15-11-10-12-16-20/h10-12,15-16,21,25H,3-9,13-14,17-19H2,1-2H3,(H,23,26)
InChIKeyAKNVGMDAOUHYPC-UHFFFAOYSA-N
XLogP4.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.30
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

CID 10410511
CID 10410511
CID 68819
CID 68819
CID 3129
CID 3129
CID 6604915
CID 6604915
CID 10045162
CID 10045162
CID 11143662
CID 11143662
CID 44309732
CID 44309732
CID 11957678
CID 11957678
CID 51719
CID 51719
CID 10424832
CID 10424832
CID 10971504
CID 10971504
CID 73755147
CID 73755147

Frequently Asked Questions

What is the IUPAC name of 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide?
The IUPAC name of 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide (CID 71524722) is 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide.
What is the SMILES notation for 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide?
The canonical SMILES for 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide is CN(C)CCCCCCCCCCCC(=O)NCC(O)c1ccccc1.
What is the InChIKey of 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide?
The InChIKey is AKNVGMDAOUHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-24(2)18-14-9-7-5-3-4-6-8-13-17-22(26)23-19-21(25)20-15-11-10-12-16-20/h10-12,15-16,21,25H,3-9,13-14,17-19H2,1-2H3,(H,23,26).
What are the key properties of 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide?
12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide has a molecular weight of 362.56 g/mol, XLogP of 4.30, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dimethylamino)-N-(2-hydroxy-2-phenylethyl)dodecanamide is sourced from PubChem (CID 71524722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).