(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide

C17H27N3O2 — CID 96570090

IUPAC(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2ccnc2)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-11-14(17(15)7-5-4-6-8-17)19-16(21)13(2)20-10-9-18-12-20/h9-10,12-15H,3-8,11H2,1-2H3,(H,19,21)/t13-,14-,15-/m1/s1
InChIKeyLCNTZUGZBUVLAM-RBSFLKMASA-N
MW305.42 g/mol
LogP2.69
Rot. Bonds5

About (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide

(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide (PubChem CID 96570090) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
PubChem CID96570090
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2ccnc2)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-11-14(17(15)7-5-4-6-8-17)19-16(21)13(2)20-10-9-18-12-20/h9-10,12-15H,3-8,11H2,1-2H3,(H,19,21)/t13-,14-,15-/m1/s1
InChIKeyLCNTZUGZBUVLAM-RBSFLKMASA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95972185
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97100650
(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
1-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(4-imidazol-1-ylbutyl)urea
CID 97029425
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 97219565
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
CID 119803509
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71980633
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide (CID 96570090) is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide is CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2ccnc2)C12CCCCC2.
What is the InChIKey of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is LCNTZUGZBUVLAM-RBSFLKMASA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-22-15-11-14(17(15)7-5-4-6-8-17)19-16(21)13(2)20-10-9-18-12-20/h9-10,12-15H,3-8,11H2,1-2H3,(H,19,21)/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide?
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 96570090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).