(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H28N2O3 — CID 97100482

IUPAC(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCOC3)C2)C12CCC2
InChIInChI=1S/C17H28N2O3/c1-2-22-14-10-13(17(14)4-3-5-17)18-15(20)19-8-6-16(11-19)7-9-21-12-16/h13-14H,2-12H2,1H3,(H,18,20)/t13-,14-,16+/m1/s1
InChIKeyWOQIHYNCVOGQEF-FMKPAKJESA-N
MW308.42 g/mol
LogP2.16
Rot. Bonds3

About (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97100482) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97100482
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCOC3)C2)C12CCC2
InChIInChI=1S/C17H28N2O3/c1-2-22-14-10-13(17(14)4-3-5-17)18-15(20)19-8-6-16(11-19)7-9-21-12-16/h13-14H,2-12H2,1H3,(H,18,20)/t13-,14-,16+/m1/s1
InChIKeyWOQIHYNCVOGQEF-FMKPAKJESA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97100482) is (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCOC3)C2)C12CCC2.
What is the InChIKey of (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is WOQIHYNCVOGQEF-FMKPAKJESA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-22-14-10-13(17(14)4-3-5-17)18-15(20)19-8-6-16(11-19)7-9-21-12-16/h13-14H,2-12H2,1H3,(H,18,20)/t13-,14-,16+/m1/s1.
What are the key properties of (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97100482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).