N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole

C22H38N4O4 — CID 67598718

IUPACN,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole
SMILESCCCCCCCCCCCC(=O)N(CCO)CCO.On1nnc2ccccc21
InChIInChI=1S/C16H33NO3.C6H5N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19;10-9-6-4-2-1-3-5(6)7-8-9/h18-19H,2-15H2,1H3;1-4,10H
InChIKeyDYEMHAZLVHCHAJ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.39
Rot. Bonds14

About N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole

N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole (PubChem CID 67598718) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole
PubChem CID67598718
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC NameN,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole
SMILESCCCCCCCCCCCC(=O)N(CCO)CCO.On1nnc2ccccc21
InChIInChI=1S/C16H33NO3.C6H5N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19;10-9-6-4-2-1-3-5(6)7-8-9/h18-19H,2-15H2,1H3;1-4,10H
InChIKeyDYEMHAZLVHCHAJ-UHFFFAOYSA-N
XLogP3.39
TPSA111.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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argon;1-hydroxybenzotriazole
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CID 102118836
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1-tridecylbenzotriazole
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N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
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N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
1-hydroxybenzotriazole;methanesulfonic acid
CID 23179795

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole?
The IUPAC name of N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole (CID 67598718) is N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole?
The canonical SMILES for N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole is CCCCCCCCCCCC(=O)N(CCO)CCO.On1nnc2ccccc21.
What is the InChIKey of N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole?
The InChIKey is DYEMHAZLVHCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3.C6H5N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19;10-9-6-4-2-1-3-5(6)7-8-9/h18-19H,2-15H2,1H3;1-4,10H.
What are the key properties of N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole?
N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole has a molecular weight of 422.57 g/mol, XLogP of 3.39, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)dodecanamide;1-hydroxybenzotriazole is sourced from PubChem (CID 67598718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).