N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide

C15H20N2O — CID 3616474

IUPACN-[(4-methylcyclohexylidene)amino]-2-phenylacetamide
SMILESCC1CCC(=NNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-12-7-9-14(10-8-12)16-17-15(18)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)/b16-14-
InChIKeyQTVKZGCBRFBFPS-PEZBUJJGSA-N
MW244.34 g/mol
LogP2.91
Rot. Bonds3

About N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide

N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide (PubChem CID 3616474) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]-2-phenylacetamide
PubChem CID3616474
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[(4-methylcyclohexylidene)amino]-2-phenylacetamide
SMILESCC1CCC(=NNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-12-7-9-14(10-8-12)16-17-15(18)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)/b16-14-
InChIKeyQTVKZGCBRFBFPS-PEZBUJJGSA-N
XLogP2.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.91
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-[(4-methylcyclohexylidene)amino]-2-phenylacetamide?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide (CID 3616474) is N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide is CC1CCC(=NNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide?
The InChIKey is QTVKZGCBRFBFPS-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-7-9-14(10-8-12)16-17-15(18)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)/b16-14-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide?
N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexylidene)amino]-2-phenylacetamide is sourced from PubChem (CID 3616474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).