3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide

C18H26N4O4 — CID 70737130

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCc1ccc(CN2CCC(CNC(=O)CCC3NC(=O)NC3=O)CC2)o1
InChIInChI=1S/C18H26N4O4/c1-12-2-3-14(26-12)11-22-8-6-13(7-9-22)10-19-16(23)5-4-15-17(24)21-18(25)20-15/h2-3,13,15H,4-11H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKeyYJHWEEAAKODBRL-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.90
Rot. Bonds7

About 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide

3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 70737130) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID70737130
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCc1ccc(CN2CCC(CNC(=O)CCC3NC(=O)NC3=O)CC2)o1
InChIInChI=1S/C18H26N4O4/c1-12-2-3-14(26-12)11-22-8-6-13(7-9-22)10-19-16(23)5-4-15-17(24)21-18(25)20-15/h2-3,13,15H,4-11H2,1H3,(H,19,23)(H2,20,21,24,25)
InChIKeyYJHWEEAAKODBRL-UHFFFAOYSA-N
XLogP0.90
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide (CID 70737130) is 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide is Cc1ccc(CN2CCC(CNC(=O)CCC3NC(=O)NC3=O)CC2)o1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is YJHWEEAAKODBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12-2-3-14(26-12)11-22-8-6-13(7-9-22)10-19-16(23)5-4-15-17(24)21-18(25)20-15/h2-3,13,15H,4-11H2,1H3,(H,19,23)(H2,20,21,24,25).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 70737130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).