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

C19H30N4O3 — CID 94604782

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)[C@H]1CCCN1C(=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)/t17-/m1/s1
InChIKeyVMKYACNGDIMYQF-QGZVFWFLSA-N
MW362.47 g/mol
LogP1.72
Rot. Bonds7

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

(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 94604782) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID94604782
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)[C@H]1CCCN1C(=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)/t17-/m1/s1
InChIKeyVMKYACNGDIMYQF-QGZVFWFLSA-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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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
1-(cyclohexanecarbonyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 46990845
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 154774733
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
(3R)-8-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97195271
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide;dihydrochloride
CID 154911197
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
CID 124757765

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 94604782) is (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide is COCCn1cncc1CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VMKYACNGDIMYQF-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-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 (2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94604782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).