N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C12H24N4O3 — CID 81490164

IUPACN-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)NC(=O)NCCOC
InChIInChI=1S/C12H24N4O3/c1-13-8-10-4-3-6-16(10)9-11(17)15-12(18)14-5-7-19-2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyKYVMMVSWLFBIHW-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.86
Rot. Bonds7

About N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 81490164) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID81490164
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCCN1CC(=O)NC(=O)NCCOC
InChIInChI=1S/C12H24N4O3/c1-13-8-10-4-3-6-16(10)9-11(17)15-12(18)14-5-7-19-2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyKYVMMVSWLFBIHW-UHFFFAOYSA-N
XLogP-0.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
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-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 81490164) is N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCCN1CC(=O)NC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KYVMMVSWLFBIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-13-8-10-4-3-6-16(10)9-11(17)15-12(18)14-5-7-19-2/h10,13H,3-9H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of -0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81490164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).