N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

C12H21N5O2 — CID 106611713

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESCOCCN(CC1CCCN1)C(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O2/c1-19-8-7-16(9-11-3-2-4-13-11)12(18)10-17-6-5-14-15-17/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeyMBGZOKFXAKHEFI-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.49
Rot. Bonds7

About N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (PubChem CID 106611713) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
PubChem CID106611713
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
SMILESCOCCN(CC1CCCN1)C(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O2/c1-19-8-7-16(9-11-3-2-4-13-11)12(18)10-17-6-5-14-15-17/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeyMBGZOKFXAKHEFI-UHFFFAOYSA-N
XLogP-0.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 106611811
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-(2-methoxyethyl)-2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106611549
2-ethyl-N-(2-methoxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106611603
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide (CID 106611713) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is COCCN(CC1CCCN1)C(=O)Cn1ccnn1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is MBGZOKFXAKHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-19-8-7-16(9-11-3-2-4-13-11)12(18)10-17-6-5-14-15-17/h5-6,11,13H,2-4,7-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 106611713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).