N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

C17H32N8O2 — CID 134099253

IUPACN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H32N8O2/c1-17(2,3)14-9-13(18-19-14)10-23(4)16(26)12-25-15(20-21-22-25)11-24-5-7-27-8-6-24/h13-14,18-19H,5-12H2,1-4H3
InChIKeyULBLDPMKVBZCGT-UHFFFAOYSA-N
MW380.50 g/mol
LogP-0.76
Rot. Bonds6

About N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 134099253) has the molecular formula C17H32N8O2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID134099253
Molecular FormulaC17H32N8O2
Molecular Weight380.50 g/mol
Exact Mass380.26
IUPAC NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)Cn1nnnc1CN1CCOCC1
InChIInChI=1S/C17H32N8O2/c1-17(2,3)14-9-13(18-19-14)10-23(4)16(26)12-25-15(20-21-22-25)11-24-5-7-27-8-6-24/h13-14,18-19H,5-12H2,1-4H3
InChIKeyULBLDPMKVBZCGT-UHFFFAOYSA-N
XLogP-0.76
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (CID 134099253) is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is CN(CC1CC(C(C)(C)C)NN1)C(=O)Cn1nnnc1CN1CCOCC1.
What is the InChIKey of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is ULBLDPMKVBZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N8O2/c1-17(2,3)14-9-13(18-19-14)10-23(4)16(26)12-25-15(20-21-22-25)11-24-5-7-27-8-6-24/h13-14,18-19H,5-12H2,1-4H3.
What are the key properties of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 380.50 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 134099253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).