3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one

C19H19NO — CID 4624884

IUPAC3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one
SMILESCc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO/c1-14-7-9-17(10-8-14)20-18-11-16(12-19(21)13-18)15-5-3-2-4-6-15/h2-10,13,16,20H,11-12H2,1H3
InChIKeyPUULLVSJRVFHAN-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.44
Rot. Bonds3

About 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one

3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one (PubChem CID 4624884) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one
PubChem CID4624884
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one
SMILESCc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO/c1-14-7-9-17(10-8-14)20-18-11-16(12-19(21)13-18)15-5-3-2-4-6-15/h2-10,13,16,20H,11-12H2,1H3
InChIKeyPUULLVSJRVFHAN-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one (CID 4624884) is 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one is Cc1ccc(NC2=CC(=O)CC(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is PUULLVSJRVFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-7-9-17(10-8-14)20-18-11-16(12-19(21)13-18)15-5-3-2-4-6-15/h2-10,13,16,20H,11-12H2,1H3.
What are the key properties of 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one?
3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 4624884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).