N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide

C16H28N4O2 — CID 91834546

IUPACN-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
SMILESCCCc1nc(CN(C)CC(=O)NC2CCCCCC2)no1
InChIInChI=1S/C16H28N4O2/c1-3-8-16-18-14(19-22-16)11-20(2)12-15(21)17-13-9-6-4-5-7-10-13/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyHCQUFEACNYHXJE-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds7

About N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide

N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide (PubChem CID 91834546) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
PubChem CID91834546
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide
SMILESCCCc1nc(CN(C)CC(=O)NC2CCCCCC2)no1
InChIInChI=1S/C16H28N4O2/c1-3-8-16-18-14(19-22-16)11-20(2)12-15(21)17-13-9-6-4-5-7-10-13/h13H,3-12H2,1-2H3,(H,17,21)
InChIKeyHCQUFEACNYHXJE-UHFFFAOYSA-N
XLogP2.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide (CID 91834546) is N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide is CCCc1nc(CN(C)CC(=O)NC2CCCCCC2)no1.
What is the InChIKey of N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide?
The InChIKey is HCQUFEACNYHXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-8-16-18-14(19-22-16)11-20(2)12-15(21)17-13-9-6-4-5-7-10-13/h13H,3-12H2,1-2H3,(H,17,21).
What are the key properties of N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide?
N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 91834546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).