(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide

C16H26N4O2 — CID 95972185

IUPAC(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)C12CCCCC2
InChIInChI=1S/C16H26N4O2/c1-3-22-14-9-13(16(14)7-5-4-6-8-16)19-15(21)12(2)20-11-17-10-18-20/h10-14H,3-9H2,1-2H3,(H,19,21)/t12-,13-,14-/m1/s1
InChIKeyNXUZFTYRIOCBBP-MGPQQGTHSA-N
MW306.41 g/mol
LogP2.08
Rot. Bonds5

About (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95972185) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID95972185
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)C12CCCCC2
InChIInChI=1S/C16H26N4O2/c1-3-22-14-9-13(16(14)7-5-4-6-8-16)19-15(21)12(2)20-11-17-10-18-20/h10-14H,3-9H2,1-2H3,(H,19,21)/t12-,13-,14-/m1/s1
InChIKeyNXUZFTYRIOCBBP-MGPQQGTHSA-N
XLogP2.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
CID 96570090
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
CID 100577324
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 129378090
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565781
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
CID 119803509
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide (CID 95972185) is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide is CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)C12CCCCC2.
What is the InChIKey of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NXUZFTYRIOCBBP-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-22-14-9-13(16(14)7-5-4-6-8-16)19-15(21)12(2)20-11-17-10-18-20/h10-14H,3-9H2,1-2H3,(H,19,21)/t12-,13-,14-/m1/s1.
What are the key properties of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95972185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).