N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C20H29N3O3 — CID 118795571

IUPACN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCc1nccn1CC1(CNC(=O)C2CC(=O)OC23CCCCC3)CC1
InChIInChI=1S/C20H29N3O3/c1-2-16-21-10-11-23(16)14-19(8-9-19)13-22-18(25)15-12-17(24)26-20(15)6-4-3-5-7-20/h10-11,15H,2-9,12-14H2,1H3,(H,22,25)
InChIKeyYCAYTDXAJZUIFU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.61
Rot. Bonds6

About N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 118795571) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID118795571
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCc1nccn1CC1(CNC(=O)C2CC(=O)OC23CCCCC3)CC1
InChIInChI=1S/C20H29N3O3/c1-2-16-21-10-11-23(16)14-19(8-9-19)13-22-18(25)15-12-17(24)26-20(15)6-4-3-5-7-20/h10-11,15H,2-9,12-14H2,1H3,(H,22,25)
InChIKeyYCAYTDXAJZUIFU-UHFFFAOYSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 118795571) is N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CCc1nccn1CC1(CNC(=O)C2CC(=O)OC23CCCCC3)CC1.
What is the InChIKey of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is YCAYTDXAJZUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-16-21-10-11-23(16)14-19(8-9-19)13-22-18(25)15-12-17(24)26-20(15)6-4-3-5-7-20/h10-11,15H,2-9,12-14H2,1H3,(H,22,25).
What are the key properties of N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118795571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).