N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide

C21H24N2O — CID 6338711

IUPACN-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
SMILESC[C@H]1CCC/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H24N2O/c1-16-9-8-14-19(15-16)22-23-21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,20H,8-9,14-15H2,1H3,(H,23,24)/b22-19+/t16-/m0/s1
InChIKeyLIGUGBCMTJASQI-QKDOTCOFSA-N
MW320.44 g/mol
LogP4.50
Rot. Bonds4

About N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide

N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide (PubChem CID 6338711) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
PubChem CID6338711
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
SMILESC[C@H]1CCC/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H24N2O/c1-16-9-8-14-19(15-16)22-23-21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,20H,8-9,14-15H2,1H3,(H,23,24)/b22-19+/t16-/m0/s1
InChIKeyLIGUGBCMTJASQI-QKDOTCOFSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.50
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 N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide (CID 6338711) is N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide is C[C@H]1CCC/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide?
The InChIKey is LIGUGBCMTJASQI-QKDOTCOFSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-9-8-14-19(15-16)22-23-21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,20H,8-9,14-15H2,1H3,(H,23,24)/b22-19+/t16-/m0/s1.
What are the key properties of N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide?
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide has a molecular weight of 320.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide is sourced from PubChem (CID 6338711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).