(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide

C17H28N2O3 — CID 170295947

IUPAC(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESC/C=C(/C)C/C=C/[C@@H](C)NC(=O)[C@@H]1CC2(CN1C)OCCO2
InChIInChI=1S/C17H28N2O3/c1-5-13(2)7-6-8-14(3)18-16(20)15-11-17(12-19(15)4)21-9-10-22-17/h5-6,8,14-15H,7,9-12H2,1-4H3,(H,18,20)/b8-6+,13-5-/t14-,15+/m1/s1
InChIKeyGOMZGRSDBSRGCH-AMUWFUNGSA-N
MW308.42 g/mol
LogP1.85
Rot. Bonds5

About (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide

(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (PubChem CID 170295947) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.

Molecular Properties

Compound Name(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
PubChem CID170295947
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESC/C=C(/C)C/C=C/[C@@H](C)NC(=O)[C@@H]1CC2(CN1C)OCCO2
InChIInChI=1S/C17H28N2O3/c1-5-13(2)7-6-8-14(3)18-16(20)15-11-17(12-19(15)4)21-9-10-22-17/h5-6,8,14-15H,7,9-12H2,1-4H3,(H,18,20)/b8-6+,13-5-/t14-,15+/m1/s1
InChIKeyGOMZGRSDBSRGCH-AMUWFUNGSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide 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 (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The IUPAC name of (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (CID 170295947) is (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.
What is the SMILES notation for (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The canonical SMILES for (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide is C/C=C(/C)C/C=C/[C@@H](C)NC(=O)[C@@H]1CC2(CN1C)OCCO2.
What is the InChIKey of (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The InChIKey is GOMZGRSDBSRGCH-AMUWFUNGSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-13(2)7-6-8-14(3)18-16(20)15-11-17(12-19(15)4)21-9-10-22-17/h5-6,8,14-15H,7,9-12H2,1-4H3,(H,18,20)/b8-6+,13-5-/t14-,15+/m1/s1.
What are the key properties of (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
(8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-methyl-N-[(2R,3E,6Z)-6-methylocta-3,6-dien-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide is sourced from PubChem (CID 170295947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).