1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one

C13H24N4O3 — CID 106617628

IUPAC1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESCOCCN(CC(=O)N1CCNC1=O)CC1CCCN1
InChIInChI=1S/C13H24N4O3/c1-20-8-7-16(9-11-3-2-4-14-11)10-12(18)17-6-5-15-13(17)19/h11,14H,2-10H2,1H3,(H,15,19)
InChIKeyAXFHWPXUCIUVQT-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.76
Rot. Bonds7

About 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one

1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 106617628) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one
PubChem CID106617628
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESCOCCN(CC(=O)N1CCNC1=O)CC1CCCN1
InChIInChI=1S/C13H24N4O3/c1-20-8-7-16(9-11-3-2-4-14-11)10-12(18)17-6-5-15-13(17)19/h11,14H,2-10H2,1H3,(H,15,19)
InChIKeyAXFHWPXUCIUVQT-UHFFFAOYSA-N
XLogP-0.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one (CID 106617628) is 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one is COCCN(CC(=O)N1CCNC1=O)CC1CCCN1.
What is the InChIKey of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is AXFHWPXUCIUVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-20-8-7-16(9-11-3-2-4-14-11)10-12(18)17-6-5-15-13(17)19/h11,14H,2-10H2,1H3,(H,15,19).
What are the key properties of 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 106617628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).