(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H31N3O2 — CID 129378090

IUPAC(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C12CCCC2
InChIInChI=1S/C19H31N3O2/c1-6-24-16-11-15(19(16)9-7-8-10-19)20-18(23)12(2)17-13(3)21-22(5)14(17)4/h12,15-16H,6-11H2,1-5H3,(H,20,23)/t12-,15-,16-/m1/s1
InChIKeyPDIVXZMMQMMSLY-DAXOMENPSA-N
MW333.48 g/mol
LogP2.99
Rot. Bonds5

About (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 129378090) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID129378090
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C12CCCC2
InChIInChI=1S/C19H31N3O2/c1-6-24-16-11-15(19(16)9-7-8-10-19)20-18(23)12(2)17-13(3)21-22(5)14(17)4/h12,15-16H,6-11H2,1-5H3,(H,20,23)/t12-,15-,16-/m1/s1
InChIKeyPDIVXZMMQMMSLY-DAXOMENPSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 129378090) is (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2c(C)nn(C)c2C)C12CCCC2.
What is the InChIKey of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PDIVXZMMQMMSLY-DAXOMENPSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-24-16-11-15(19(16)9-7-8-10-19)20-18(23)12(2)17-13(3)21-22(5)14(17)4/h12,15-16H,6-11H2,1-5H3,(H,20,23)/t12-,15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 2.99, 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[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 129378090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).