N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C14H26N6O2 — CID 42527483

IUPACN-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCOCCN(C(=O)Cn1nnnc1CN1CCCC1)C(C)C
InChIInChI=1S/C14H26N6O2/c1-12(2)19(8-9-22-3)14(21)11-20-13(15-16-17-20)10-18-6-4-5-7-18/h12H,4-11H2,1-3H3
InChIKeyNKTVZEOFLPTGBY-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.15
Rot. Bonds8

About N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 42527483) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID42527483
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC NameN-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCOCCN(C(=O)Cn1nnnc1CN1CCCC1)C(C)C
InChIInChI=1S/C14H26N6O2/c1-12(2)19(8-9-22-3)14(21)11-20-13(15-16-17-20)10-18-6-4-5-7-18/h12H,4-11H2,1-3H3
InChIKeyNKTVZEOFLPTGBY-UHFFFAOYSA-N
XLogP0.15
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 42527483) is N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is COCCN(C(=O)Cn1nnnc1CN1CCCC1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is NKTVZEOFLPTGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O2/c1-12(2)19(8-9-22-3)14(21)11-20-13(15-16-17-20)10-18-6-4-5-7-18/h12H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 0.15, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propan-2-yl-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 42527483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).