N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide

C13H21N3O2 — CID 91774846

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCOCCn1cncc1CNC(=O)C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-18-7-6-16-10-14-8-12(16)9-15-13(17)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,15,17)
InChIKeyKTJSDDVZIWMUPA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds6

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 91774846) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
PubChem CID91774846
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
SMILESCOCCn1cncc1CNC(=O)C1CCCC1
InChIInChI=1S/C13H21N3O2/c1-18-7-6-16-10-14-8-12(16)9-15-13(17)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,15,17)
InChIKeyKTJSDDVZIWMUPA-UHFFFAOYSA-N
XLogP1.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide (CID 91774846) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide is COCCn1cncc1CNC(=O)C1CCCC1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is KTJSDDVZIWMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-7-6-16-10-14-8-12(16)9-15-13(17)11-4-2-3-5-11/h8,10-11H,2-7,9H2,1H3,(H,15,17).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 91774846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).