N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide

C30H61N3O2 — CID 102064097

IUPACN-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCC
InChIInChI=1S/C30H61N3O2/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-29(34)32-26-28-33(27-25-31)30(35)24-22-20-17-10-8-6-4-2/h3-28,31H2,1-2H3,(H,32,34)
InChIKeyYGPSXGSGECCLTH-UHFFFAOYSA-N
MW495.84 g/mol
LogP7.51
Rot. Bonds27

About N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide

N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide (PubChem CID 102064097) has the molecular formula C30H61N3O2 and a molecular weight of 495.84 g/mol. Its IUPAC name is N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
PubChem CID102064097
Molecular FormulaC30H61N3O2
Molecular Weight495.84 g/mol
Exact Mass495.48
IUPAC NameN-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCC
InChIInChI=1S/C30H61N3O2/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-29(34)32-26-28-33(27-25-31)30(35)24-22-20-17-10-8-6-4-2/h3-28,31H2,1-2H3,(H,32,34)
InChIKeyYGPSXGSGECCLTH-UHFFFAOYSA-N
XLogP7.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.84
LogP ≤ 57.51
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-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
CID 129151974
(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide
CID 90684442
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212
N,N-bis(2-aminoethyl)-12-hydroxyoctadecanamide
CID 154347241

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide?
The IUPAC name of N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide (CID 102064097) is N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide.
What is the SMILES notation for N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide?
The canonical SMILES for N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCC.
What is the InChIKey of N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide?
The InChIKey is YGPSXGSGECCLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3O2/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-29(34)32-26-28-33(27-25-31)30(35)24-22-20-17-10-8-6-4-2/h3-28,31H2,1-2H3,(H,32,34).
What are the key properties of N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide?
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide has a molecular weight of 495.84 g/mol, XLogP of 7.51, 27 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide is sourced from PubChem (CID 102064097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).