6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

C24H28N2O4 — CID 88882210

IUPAC6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=CC1CC=CCC1C(=O)NCc1cccc(CNC(=O)C2CC=CCC2C=O)c1
InChIInChI=1S/C24H28N2O4/c27-15-19-8-1-3-10-21(19)23(29)25-13-17-6-5-7-18(12-17)14-26-24(30)22-11-4-2-9-20(22)16-28/h1-7,12,15-16,19-22H,8-11,13-14H2,(H,25,29)(H,26,30)
InChIKeyQLLUWPHOJDZAGN-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.48
Rot. Bonds8

About 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 88882210) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID88882210
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=CC1CC=CCC1C(=O)NCc1cccc(CNC(=O)C2CC=CCC2C=O)c1
InChIInChI=1S/C24H28N2O4/c27-15-19-8-1-3-10-21(19)23(29)25-13-17-6-5-7-18(12-17)14-26-24(30)22-11-4-2-9-20(22)16-28/h1-7,12,15-16,19-22H,8-11,13-14H2,(H,25,29)(H,26,30)
InChIKeyQLLUWPHOJDZAGN-UHFFFAOYSA-N
XLogP2.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
6-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744977
1-N,2-N,2-N-tribenzylcyclohex-4-ene-1,2-dicarboxamide
CID 19133731
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892179
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
(1R,6S)-6-[(4-methylphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7728149
(1S,6R)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550137
(1S,6S)-6-[(4-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7550139

Frequently Asked Questions

What is the IUPAC name of 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 88882210) is 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is O=CC1CC=CCC1C(=O)NCc1cccc(CNC(=O)C2CC=CCC2C=O)c1.
What is the InChIKey of 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QLLUWPHOJDZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-15-19-8-1-3-10-21(19)23(29)25-13-17-6-5-7-18(12-17)14-26-24(30)22-11-4-2-9-20(22)16-28/h1-7,12,15-16,19-22H,8-11,13-14H2,(H,25,29)(H,26,30).
What are the key properties of 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide?
6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-N-[[3-[[(6-formylcyclohex-3-ene-1-carbonyl)amino]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 88882210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).