N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide

C25H51N3O4 — CID 23503512

IUPACN-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
SMILESCCCCCCCCCCCCC(=O)N(C)C(C(=O)NCCOCCOCCN)C(C)C
InChIInChI=1S/C25H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-23(29)28(4)24(22(2)3)25(30)27-17-19-32-21-20-31-18-16-26/h22,24H,5-21,26H2,1-4H3,(H,27,30)
InChIKeyXRWZYZMITNTULT-UHFFFAOYSA-N
MW457.70 g/mol
LogP3.89
Rot. Bonds22

About N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide

N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide (PubChem CID 23503512) has the molecular formula C25H51N3O4 and a molecular weight of 457.70 g/mol. Its IUPAC name is N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
PubChem CID23503512
Molecular FormulaC25H51N3O4
Molecular Weight457.70 g/mol
Exact Mass457.39
IUPAC NameN-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
SMILESCCCCCCCCCCCCC(=O)N(C)C(C(=O)NCCOCCOCCN)C(C)C
InChIInChI=1S/C25H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-23(29)28(4)24(22(2)3)25(30)27-17-19-32-21-20-31-18-16-26/h22,24H,5-21,26H2,1-4H3,(H,27,30)
InChIKeyXRWZYZMITNTULT-UHFFFAOYSA-N
XLogP3.89
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.70
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide
CID 170530500
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[3-methyl-1-[2-[2-[2-[[3-methyl-2-[3-morpholin-4-ylpropyl(tetradecanoyl)amino]butanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-N-(3-morpholin-4-ylpropyl)tetradecanamide
CID 167208150
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
N-[2-(dimethylamino)ethyl]-N-[1-[6-[[2-[2-(dimethylamino)ethyl-hexadecanoylamino]-3-methylbutanoyl]amino]hexylamino]-3-methyl-1-oxobutan-2-yl]hexadecanamide
CID 170530512
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
bis[[(2S)-2-[methyl(octadecanoyl)amino]propanoyl]oxy]alumanyl (2S)-2-[methyl(octadecanoyl)amino]propanoate
CID 139835757
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide?
The IUPAC name of N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide (CID 23503512) is N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide.
What is the SMILES notation for N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide?
The canonical SMILES for N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide is CCCCCCCCCCCCC(=O)N(C)C(C(=O)NCCOCCOCCN)C(C)C.
What is the InChIKey of N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide?
The InChIKey is XRWZYZMITNTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-23(29)28(4)24(22(2)3)25(30)27-17-19-32-21-20-31-18-16-26/h22,24H,5-21,26H2,1-4H3,(H,27,30).
What are the key properties of N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide?
N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide has a molecular weight of 457.70 g/mol, XLogP of 3.89, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide is sourced from PubChem (CID 23503512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).