3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide

C14H24N2O3 — CID 170758734

IUPAC3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide
SMILESCNC(=O)C(NC=O)C(C)OCC12CCC(CC1)C2
InChIInChI=1S/C14H24N2O3/c1-10(12(16-9-17)13(18)15-2)19-8-14-5-3-11(7-14)4-6-14/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVGVROGQGCWLNPV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.83
Rot. Bonds7

About 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide

3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide (PubChem CID 170758734) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide.

Molecular Properties

Compound Name3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide
PubChem CID170758734
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide
SMILESCNC(=O)C(NC=O)C(C)OCC12CCC(CC1)C2
InChIInChI=1S/C14H24N2O3/c1-10(12(16-9-17)13(18)15-2)19-8-14-5-3-11(7-14)4-6-14/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVGVROGQGCWLNPV-UHFFFAOYSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide?
The IUPAC name of 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide (CID 170758734) is 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide.
What is the SMILES notation for 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide?
The canonical SMILES for 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide is CNC(=O)C(NC=O)C(C)OCC12CCC(CC1)C2.
What is the InChIKey of 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide?
The InChIKey is VGVROGQGCWLNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(12(16-9-17)13(18)15-2)19-8-14-5-3-11(7-14)4-6-14/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide?
3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bicyclo[2.2.1]heptanylmethoxy)-2-formamido-N-methylbutanamide is sourced from PubChem (CID 170758734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).