N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide

C19H27N3O2 — CID 52530427

IUPACN-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCC[C@@H](NC(=O)C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O2/c1-3-16(21-18(24)17(23)15-10-20-22(2)11-15)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14,16H,3-9H2,1-2H3,(H,21,24)/t12?,13?,14?,16-,19?/m1/s1
InChIKeyZRMMUUPCYVNFNQ-SFIVQVFOSA-N
MW329.44 g/mol
LogP2.71
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide

N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 52530427) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
PubChem CID52530427
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
SMILESCC[C@@H](NC(=O)C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O2/c1-3-16(21-18(24)17(23)15-10-20-22(2)11-15)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14,16H,3-9H2,1-2H3,(H,21,24)/t12?,13?,14?,16-,19?/m1/s1
InChIKeyZRMMUUPCYVNFNQ-SFIVQVFOSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide (CID 52530427) is N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide is CC[C@@H](NC(=O)C(=O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is ZRMMUUPCYVNFNQ-SFIVQVFOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-16(21-18(24)17(23)15-10-20-22(2)11-15)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14,16H,3-9H2,1-2H3,(H,21,24)/t12?,13?,14?,16-,19?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide?
N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 329.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)propyl]-2-(1-methylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 52530427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).