N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide

C22H47N3O2 — CID 154347241

IUPACN,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)N(CCN)CCN
InChIInChI=1S/C22H47N3O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)25(19-17-23)20-18-24/h21,26H,2-20,23-24H2,1H3
InChIKeyUPJKOOLVZRJSIF-UHFFFAOYSA-N
MW385.64 g/mol
LogP3.96
Rot. Bonds20

About N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide

N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide (PubChem CID 154347241) has the molecular formula C22H47N3O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide
PubChem CID154347241
Molecular FormulaC22H47N3O2
Molecular Weight385.64 g/mol
Exact Mass385.37
IUPAC NameN,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCCC(=O)N(CCN)CCN
InChIInChI=1S/C22H47N3O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)25(19-17-23)20-18-24/h21,26H,2-20,23-24H2,1H3
InChIKeyUPJKOOLVZRJSIF-UHFFFAOYSA-N
XLogP3.96
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
CID 11188780
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
N-(3-aminopropyl)-N-propylnonanamide
CID 65448334
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide?
The IUPAC name of N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide (CID 154347241) is N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide.
What is the SMILES notation for N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide?
The canonical SMILES for N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide is CCCCCCC(O)CCCCCCCCCCC(=O)N(CCN)CCN.
What is the InChIKey of N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide?
The InChIKey is UPJKOOLVZRJSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O2/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)25(19-17-23)20-18-24/h21,26H,2-20,23-24H2,1H3.
What are the key properties of N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide?
N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide has a molecular weight of 385.64 g/mol, XLogP of 3.96, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide is sourced from PubChem (CID 154347241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).