N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide

C15H31N3O3 — CID 142949248

IUPACN-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCOCCOCCN1CC(C)C(C)C1
InChIInChI=1S/C15H31N3O3/c1-13-11-18(12-14(13)2)5-7-21-9-8-20-6-4-17-15(19)10-16-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUPFXZJOABIDONQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP-0.06
Rot. Bonds11

About N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide

N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide (PubChem CID 142949248) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide
PubChem CID142949248
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC NameN-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCOCCOCCN1CC(C)C(C)C1
InChIInChI=1S/C15H31N3O3/c1-13-11-18(12-14(13)2)5-7-21-9-8-20-6-4-17-15(19)10-16-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyUPFXZJOABIDONQ-UHFFFAOYSA-N
XLogP-0.06
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide (CID 142949248) is N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCOCCOCCN1CC(C)C(C)C1.
What is the InChIKey of N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide?
The InChIKey is UPFXZJOABIDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-13-11-18(12-14(13)2)5-7-21-9-8-20-6-4-17-15(19)10-16-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide?
N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide has a molecular weight of 301.43 g/mol, XLogP of -0.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 142949248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).