N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide

C17H27N3O2 — CID 71993512

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCn2cc(C)cn2)C12CCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-4-5-8-17)19-16(21)6-9-20-12-13(2)11-18-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyVPJXXALHJFUYIM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.44
Rot. Bonds6

About N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide

N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 71993512) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID71993512
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide
SMILESCCOC1CC(NC(=O)CCn2cc(C)cn2)C12CCCC2
InChIInChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-4-5-8-17)19-16(21)6-9-20-12-13(2)11-18-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,21)
InChIKeyVPJXXALHJFUYIM-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide (CID 71993512) is N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide is CCOC1CC(NC(=O)CCn2cc(C)cn2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is VPJXXALHJFUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-22-15-10-14(17(15)7-4-5-8-17)19-16(21)6-9-20-12-13(2)11-18-20/h11-12,14-15H,3-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide?
N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 71993512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).