3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide

C13H22N4O2 — CID 139004590

IUPAC3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NCc2cncn2C)C1
InChIInChI=1S/C13H22N4O2/c1-3-19-9-11-4-5-17(8-11)13(18)15-7-12-6-14-10-16(12)2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,18)
InChIKeyCKNPUKYVCLJXRK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.99
Rot. Bonds5

About 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide

3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 139004590) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID139004590
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)NCc2cncn2C)C1
InChIInChI=1S/C13H22N4O2/c1-3-19-9-11-4-5-17(8-11)13(18)15-7-12-6-14-10-16(12)2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,18)
InChIKeyCKNPUKYVCLJXRK-UHFFFAOYSA-N
XLogP0.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 97240765
2,5-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 154797084
(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
1-[(3-methylimidazol-4-yl)methyl]-3-[2-(1-methylpiperidin-3-yl)ethyl]urea
CID 139021653
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
CID 56790214
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
N-[(3-methylimidazol-4-yl)methyl]-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126808465
(3S)-3-(ethoxymethyl)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-1-carboxamide
CID 96569286
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
(3R)-N-(furan-3-ylmethyl)-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 126449674
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 139004590) is 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)NCc2cncn2C)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is CKNPUKYVCLJXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-19-9-11-4-5-17(8-11)13(18)15-7-12-6-14-10-16(12)2/h6,10-11H,3-5,7-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide?
3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 139004590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).