1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide

C19H30N4O3 — CID 46991307

IUPAC1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C19H30N4O3/c1-26-11-10-22-14-20-12-16(22)13-21-18(24)17-8-5-9-23(17)19(25)15-6-3-2-4-7-15/h12,14-15,17H,2-11,13H2,1H3,(H,21,24)
InChIKeyVMKYACNGDIMYQF-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.72
Rot. Bonds7

About 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46991307) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID46991307
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C19H30N4O3/c1-26-11-10-22-14-20-12-16(22)13-21-18(24)17-8-5-9-23(17)19(25)15-6-3-2-4-7-15/h12,14-15,17H,2-11,13H2,1H3,(H,21,24)
InChIKeyVMKYACNGDIMYQF-UHFFFAOYSA-N
XLogP1.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 46991307) is 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide is COCCn1cncc1CNC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VMKYACNGDIMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-26-11-10-22-14-20-12-16(22)13-21-18(24)17-8-5-9-23(17)19(25)15-6-3-2-4-7-15/h12,14-15,17H,2-11,13H2,1H3,(H,21,24).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46991307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).