N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide

C18H32N2O3 — CID 164603950

IUPACN-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC2(CC1)CC2
InChIInChI=1S/C18H32N2O3/c1-12(2)16(21)20-15(17(22)19-4)13(3)23-11-14-5-7-18(8-6-14)9-10-18/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyNJQFHORSZPANTC-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.25
Rot. Bonds7

About N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide

N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide (PubChem CID 164603950) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
PubChem CID164603950
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC2(CC1)CC2
InChIInChI=1S/C18H32N2O3/c1-12(2)16(21)20-15(17(22)19-4)13(3)23-11-14-5-7-18(8-6-14)9-10-18/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyNJQFHORSZPANTC-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide (CID 164603950) is N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide.
What is the SMILES notation for N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The canonical SMILES for N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC1CCC2(CC1)CC2.
What is the InChIKey of N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
The InChIKey is NJQFHORSZPANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-12(2)16(21)20-15(17(22)19-4)13(3)23-11-14-5-7-18(8-6-14)9-10-18/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide?
N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide has a molecular weight of 324.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide is sourced from PubChem (CID 164603950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).