N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide

C19H30N2O4 — CID 98845527

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide
SMILESC[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H30N2O4/c1-13(17-11-14-2-3-15(17)10-14)20-18(22)12-25-21-16-4-6-19(7-5-16)23-8-9-24-19/h13-15,17H,2-12H2,1H3,(H,20,22)/t13-,14+,15+,17+/m1/s1
InChIKeyQQKRUEYSXFGKKG-AESZEHBQSA-N
MW350.46 g/mol
LogP2.62
Rot. Bonds5

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide (PubChem CID 98845527) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide
PubChem CID98845527
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide
SMILESC[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H30N2O4/c1-13(17-11-14-2-3-15(17)10-14)20-18(22)12-25-21-16-4-6-19(7-5-16)23-8-9-24-19/h13-15,17H,2-12H2,1H3,(H,20,22)/t13-,14+,15+,17+/m1/s1
InChIKeyQQKRUEYSXFGKKG-AESZEHBQSA-N
XLogP2.62
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide (CID 98845527) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide is C[C@@H](NC(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide?
The InChIKey is QQKRUEYSXFGKKG-AESZEHBQSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(17-11-14-2-3-15(17)10-14)20-18(22)12-25-21-16-4-6-19(7-5-16)23-8-9-24-19/h13-15,17H,2-12H2,1H3,(H,20,22)/t13-,14+,15+,17+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,4-dioxaspiro[4.5]decan-8-ylideneamino)oxyacetamide is sourced from PubChem (CID 98845527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).