cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid

C23H30N2O5 — CID 23291576

IUPACcyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid
SMILESCC(=O)Nc1ccc(C=O)cc1.COc1ccc(C(=O)O)cc1.NC1CCCCC1
InChIInChI=1S/C9H9NO2.C8H8O3.C6H13N/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,12);2-5H,1H3,(H,9,10);6H,1-5,7H2
InChIKeyAUPIFKBFPJZMLV-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.13
Rot. Bonds4

About cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid

cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid (PubChem CID 23291576) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid.

Molecular Properties

Compound Namecyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid
PubChem CID23291576
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namecyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid
SMILESCC(=O)Nc1ccc(C=O)cc1.COc1ccc(C(=O)O)cc1.NC1CCCCC1
InChIInChI=1S/C9H9NO2.C8H8O3.C6H13N/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,12);2-5H,1H3,(H,9,10);6H,1-5,7H2
InChIKeyAUPIFKBFPJZMLV-UHFFFAOYSA-N
XLogP4.13
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanamine;(2S)-2,5-diaminopentanoic acid;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid
CID 159343017
[2-(4-methoxyanilino)-2-oxoethyl] 4-formylbenzoate
CID 2417688
4-formylbenzoic acid;methoxymethane
CID 145138975
4-chlorobenzoic acid;cyclohexanamine;2,5-diaminopentanoic acid;N-(4-formylphenyl)butanamide
CID 173277175
butanoic acid;cyclohexanamine;(2S)-2,6-diaminohexanoic acid;N-(4-formylphenyl)acetamide
CID 159215099
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6896328
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 17128702
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid?
The IUPAC name of cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid (CID 23291576) is cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid.
What is the SMILES notation for cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid?
The canonical SMILES for cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid is CC(=O)Nc1ccc(C=O)cc1.COc1ccc(C(=O)O)cc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid?
The InChIKey is AUPIFKBFPJZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C8H8O3.C6H13N/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-11-7-4-2-6(3-5-7)8(9)10;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,12);2-5H,1H3,(H,9,10);6H,1-5,7H2.
What are the key properties of cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid?
cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid has a molecular weight of 414.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-(4-formylphenyl)acetamide;4-methoxybenzoic acid is sourced from PubChem (CID 23291576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).