N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide

C19H29N3O2 — CID 126808611

IUPACN-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)CN1CCCC1=O
InChIInChI=1S/C19H29N3O2/c1-13(20-21-17(23)12-22-4-2-3-18(22)24)8-19-9-14-5-15(10-19)7-16(6-14)11-19/h14-16H,2-12H2,1H3,(H,21,23)
InChIKeyVSLBFPAXVBTNJS-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.71
Rot. Bonds5

About N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 126808611) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID126808611
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)CN1CCCC1=O
InChIInChI=1S/C19H29N3O2/c1-13(20-21-17(23)12-22-4-2-3-18(22)24)8-19-9-14-5-15(10-19)7-16(6-14)11-19/h14-16H,2-12H2,1H3,(H,21,23)
InChIKeyVSLBFPAXVBTNJS-UHFFFAOYSA-N
XLogP2.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-adamantyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 84867892
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879514
2-(1-adamantyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 78868533
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115881844
2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8862777
2-(3-bromo-1-adamantyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 60535177
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CID 18274046
2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123350456
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 126808611) is N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide is CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)CN1CCCC1=O.
What is the InChIKey of N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VSLBFPAXVBTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(20-21-17(23)12-22-4-2-3-18(22)24)8-19-9-14-5-15(10-19)7-16(6-14)11-19/h14-16H,2-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propan-2-ylideneamino]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 126808611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).