2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide

C17H24N2O — CID 24819039

IUPAC2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide
SMILESCC(C)(C)C(=O)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20)19-18-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20)/b18-15-
InChIKeyVFUZODUVYWPYEN-SDXDJHTJSA-N
MW272.39 g/mol
LogP3.86
Rot. Bonds2

About 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide

2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide (PubChem CID 24819039) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide
PubChem CID24819039
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide
SMILESCC(C)(C)C(=O)NN=C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2,3)16(20)19-18-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20)/b18-15-
InChIKeyVFUZODUVYWPYEN-SDXDJHTJSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide (CID 24819039) is 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide is CC(C)(C)C(=O)NN=C1CCC(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide?
The InChIKey is VFUZODUVYWPYEN-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)16(20)19-18-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,20)/b18-15-.
What are the key properties of 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide?
2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide has a molecular weight of 272.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-phenylcyclohexylidene)amino]propanamide is sourced from PubChem (CID 24819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).