3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one

C23H25NO3 — CID 135401396

IUPAC3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one
SMILESCCC/C(=N\c1ccccc1OC)C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C23H25NO3/c1-3-9-19(24-18-12-7-8-13-22(18)27-2)23-20(25)14-17(15-21(23)26)16-10-5-4-6-11-16/h4-8,10-13,17,25H,3,9,14-15H2,1-2H3/b24-19+
InChIKeyJHVOKYGOOLRRTD-LYBHJNIJSA-N
MW363.46 g/mol
LogP5.53
Rot. Bonds6

About 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one

3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one (PubChem CID 135401396) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one
PubChem CID135401396
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one
SMILESCCC/C(=N\c1ccccc1OC)C1=C(O)CC(c2ccccc2)CC1=O
InChIInChI=1S/C23H25NO3/c1-3-9-19(24-18-12-7-8-13-22(18)27-2)23-20(25)14-17(15-21(23)26)16-10-5-4-6-11-16/h4-8,10-13,17,25H,3,9,14-15H2,1-2H3/b24-19+
InChIKeyJHVOKYGOOLRRTD-LYBHJNIJSA-N
XLogP5.53
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Hydroxyanilino)propylidene]-5-phenylcyclohexane-1,3-dione
CID 135430044
2-[1-(2-Methoxyanilino)ethylidene]-5-phenylcyclohexane-1,3-dione
CID 135438901
2-{[(2-Ethoxyphenyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135401660
5H-benzo(a)phenoxazin-5-one
CID 12683731
2-{1-[(4-methoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135401494
2-[(2-Methoxyanilino)methylene]-5-phenylcyclohexane-1,3-dione
CID 135401652
2-{[(2-Hydroxyphenyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135406759
2-{[(2,4-Dimethoxyphenyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447315
2-[C-ethyl-N-(2-methoxyphenyl)carbonimidoyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 135460473
2-[N-(2,6-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 136499014
3-hydroxy-2-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-5-(3-methylphenyl)cyclohex-2-en-1-one
CID 136499021
3-hydroxy-5-(3-methoxyphenyl)-2-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]cyclohex-2-en-1-one
CID 136499022

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one (CID 135401396) is 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one is CCC/C(=N\c1ccccc1OC)C1=C(O)CC(c2ccccc2)CC1=O.
What is the InChIKey of 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one?
The InChIKey is JHVOKYGOOLRRTD-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-9-19(24-18-12-7-8-13-22(18)27-2)23-20(25)14-17(15-21(23)26)16-10-5-4-6-11-16/h4-8,10-13,17,25H,3,9,14-15H2,1-2H3/b24-19+.
What are the key properties of 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one?
3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[N-(2-methoxyphenyl)-C-propylcarbonimidoyl]-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 135401396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).