N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide

C28H56N2O3 — CID 59053098

IUPACN-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
SMILESCCCCCCCCCCCCNC(=O)CN(CCO)C(=O)CCCCCCCCCCC
InChIInChI=1S/C28H56N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27(32)26-30(24-25-31)28(33)22-20-18-16-14-12-10-8-6-4-2/h31H,3-26H2,1-2H3,(H,29,32)
InChIKeyQHDCUYCTRFSMFG-UHFFFAOYSA-N
MW468.77 g/mol
LogP6.77
Rot. Bonds25

About N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide

N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide (PubChem CID 59053098) has the molecular formula C28H56N2O3 and a molecular weight of 468.77 g/mol. Its IUPAC name is N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide.

Molecular Properties

Compound NameN-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
PubChem CID59053098
Molecular FormulaC28H56N2O3
Molecular Weight468.77 g/mol
Exact Mass468.43
IUPAC NameN-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
SMILESCCCCCCCCCCCCNC(=O)CN(CCO)C(=O)CCCCCCCCCCC
InChIInChI=1S/C28H56N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27(32)26-30(24-25-31)28(33)22-20-18-16-14-12-10-8-6-4-2/h31H,3-26H2,1-2H3,(H,29,32)
InChIKeyQHDCUYCTRFSMFG-UHFFFAOYSA-N
XLogP6.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 56.77
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

N-(2,3-dihydroxypropyl)-N-[2-(octadecylamino)-2-oxoethyl]hexadecanamide
CID 153406102
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
CID 129151974
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917

Frequently Asked Questions

What is the IUPAC name of N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide?
The IUPAC name of N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide (CID 59053098) is N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide.
What is the SMILES notation for N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide?
The canonical SMILES for N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide is CCCCCCCCCCCCNC(=O)CN(CCO)C(=O)CCCCCCCCCCC.
What is the InChIKey of N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide?
The InChIKey is QHDCUYCTRFSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27(32)26-30(24-25-31)28(33)22-20-18-16-14-12-10-8-6-4-2/h31H,3-26H2,1-2H3,(H,29,32).
What are the key properties of N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide?
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide has a molecular weight of 468.77 g/mol, XLogP of 6.77, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide is sourced from PubChem (CID 59053098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).