2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide

C17H24N6O — CID 156606204

IUPAC2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C17H24N6O/c1-12(2)22(3)10-16-19-20-21-23(16)11-17(24)18-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,18,24)
InChIKeyNBUUVMZLSDOYIN-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.19
Rot. Bonds7

About 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide

2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide (PubChem CID 156606204) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide
PubChem CID156606204
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C17H24N6O/c1-12(2)22(3)10-16-19-20-21-23(16)11-17(24)18-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,18,24)
InChIKeyNBUUVMZLSDOYIN-UHFFFAOYSA-N
XLogP1.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide (CID 156606204) is 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide is CC(C)N(C)Cc1nnnn1CC(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is NBUUVMZLSDOYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)22(3)10-16-19-20-21-23(16)11-17(24)18-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,18,24).
What are the key properties of 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide?
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 156606204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).