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

C14H29N3O3 — CID 142949235

IUPAC2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC1CN(CCOCCOCCNC(=O)CN)CC1C
InChIInChI=1S/C14H29N3O3/c1-12-10-17(11-13(12)2)4-6-20-8-7-19-5-3-16-14(18)9-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyBGSLWMUSXDASQR-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.32
Rot. Bonds10

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

2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 142949235) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide
PubChem CID142949235
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESCC1CN(CCOCCOCCNC(=O)CN)CC1C
InChIInChI=1S/C14H29N3O3/c1-12-10-17(11-13(12)2)4-6-20-8-7-19-5-3-16-14(18)9-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyBGSLWMUSXDASQR-UHFFFAOYSA-N
XLogP-0.32
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.32
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 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide (CID 142949235) is 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide is CC1CN(CCOCCOCCNC(=O)CN)CC1C.
What is the InChIKey of 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is BGSLWMUSXDASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-12-10-17(11-13(12)2)4-6-20-8-7-19-5-3-16-14(18)9-15/h12-13H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide?
2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 287.40 g/mol, XLogP of -0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 142949235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).