N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide

C25H49N3O3 — CID 139965434

IUPACN-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCCC1CC(=O)N(C)CCOCCNC
InChIInChI=1S/C25H49N3O3/c1-4-5-6-7-8-9-10-11-12-13-16-24(29)28-18-14-15-23(28)22-25(30)27(3)19-21-31-20-17-26-2/h23,26H,4-22H2,1-3H3
InChIKeyYJFGAKZMQBEQLM-UHFFFAOYSA-N
MW439.69 g/mol
LogP4.37
Rot. Bonds19

About N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide

N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide (PubChem CID 139965434) has the molecular formula C25H49N3O3 and a molecular weight of 439.69 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
PubChem CID139965434
Molecular FormulaC25H49N3O3
Molecular Weight439.69 g/mol
Exact Mass439.38
IUPAC NameN-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
SMILESCCCCCCCCCCCCC(=O)N1CCCC1CC(=O)N(C)CCOCCNC
InChIInChI=1S/C25H49N3O3/c1-4-5-6-7-8-9-10-11-12-13-16-24(29)28-18-14-15-23(28)22-25(30)27(3)19-21-31-20-17-26-2/h23,26H,4-22H2,1-3H3
InChIKeyYJFGAKZMQBEQLM-UHFFFAOYSA-N
XLogP4.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.69
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide (CID 139965434) is N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide is CCCCCCCCCCCCC(=O)N1CCCC1CC(=O)N(C)CCOCCNC.
What is the InChIKey of N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide?
The InChIKey is YJFGAKZMQBEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N3O3/c1-4-5-6-7-8-9-10-11-12-13-16-24(29)28-18-14-15-23(28)22-25(30)27(3)19-21-31-20-17-26-2/h23,26H,4-22H2,1-3H3.
What are the key properties of N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide?
N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide has a molecular weight of 439.69 g/mol, XLogP of 4.37, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 139965434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).