N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide

C16H27N3O2 — CID 2875504

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)12-6-8-13(9-7-12)17-18-14(20)15(21)19-10-4-5-11-19/h12H,4-11H2,1-3H3,(H,18,20)/b17-13-
InChIKeyDIVBLNAGYPLYCW-LGMDPLHJSA-N
MW293.41 g/mol
LogP2.32
Rot. Bonds1

About N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2875504) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2875504
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)12-6-8-13(9-7-12)17-18-14(20)15(21)19-10-4-5-11-19/h12H,4-11H2,1-3H3,(H,18,20)/b17-13-
InChIKeyDIVBLNAGYPLYCW-LGMDPLHJSA-N
XLogP2.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2875504) is N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide is CC(C)(C)C1CCC(=NNC(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is DIVBLNAGYPLYCW-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)12-6-8-13(9-7-12)17-18-14(20)15(21)19-10-4-5-11-19/h12H,4-11H2,1-3H3,(H,18,20)/b17-13-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 293.41 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2875504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).