N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide

C16H20N2O2 — CID 5349860

IUPACN-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide
SMILESCC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O2/c1-16(2)10-13(9-14(19)11-16)17-18-15(20)8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,20)/b17-13+
InChIKeyDUGOTOLLAQSTLE-GHRIWEEISA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds3

About N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide

N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide (PubChem CID 5349860) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide
PubChem CID5349860
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide
SMILESCC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H20N2O2/c1-16(2)10-13(9-14(19)11-16)17-18-15(20)8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,20)/b17-13+
InChIKeyDUGOTOLLAQSTLE-GHRIWEEISA-N
XLogP2.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide (CID 5349860) is N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide is CC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide?
The InChIKey is DUGOTOLLAQSTLE-GHRIWEEISA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2)10-13(9-14(19)11-16)17-18-15(20)8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,20)/b17-13+.
What are the key properties of N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide?
N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 5349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).