N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide

C23H36N2O2 — CID 172982355

IUPACN'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide
SMILESCCCCCCCCCCCc1ccc(CC(=O)C2(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)18-21(26)23(16-17-23)22(24)25-27/h12-15,27H,2-11,16-18H2,1H3,(H2,24,25)
InChIKeyFXVOAQVBTJRWAO-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.40
Rot. Bonds14

About N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide

N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide (PubChem CID 172982355) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide
PubChem CID172982355
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide
SMILESCCCCCCCCCCCc1ccc(CC(=O)C2(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)18-21(26)23(16-17-23)22(24)25-27/h12-15,27H,2-11,16-18H2,1H3,(H2,24,25)
InChIKeyFXVOAQVBTJRWAO-UHFFFAOYSA-N
XLogP5.40
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-tetradecylphenyl)acetyl]cyclopropane-1-carboximidamide
CID 158551361
1-[2-[4-[7-(cyclohexylmethoxy)heptyl]phenyl]acetyl]-N'-hydroxycyclopropane-1-carboximidamide
CID 172984941
4-hexadecyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
CID 123182147
4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
CID 123533155
sodium 2-(4-tridecylphenyl)acetate
CID 23717024
1-carbamimidoyl-N-(4-decylphenyl)cyclopropane-1-carboxamide
CID 46197558
4-octylbenzamide;hydrochloride
CID 131740255
N-[4-[7-[[amino-[1-[(4-undecylphenyl)carbamoyl]cyclopropyl]methylidene]amino]dodecyl]phenyl]-1-carbamimidoylcyclopropane-1-carboxamide
CID 129239367
1-butyl-4-nonylbenzene
CID 59545302
1-[1-(1-aminoethenyl)cyclopropyl]-2-[4-[6-(cyclohexylmethoxy)hexyl]phenyl]ethanone
CID 158184364
N-tert-butyl-2-(4-heptylphenyl)acetamide
CID 161404255
4-(4-hexylphenyl)butan-2-one
CID 67820742

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide (CID 172982355) is N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide is CCCCCCCCCCCc1ccc(CC(=O)C2(/C(N)=N/O)CC2)cc1.
What is the InChIKey of N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide?
The InChIKey is FXVOAQVBTJRWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)18-21(26)23(16-17-23)22(24)25-27/h12-15,27H,2-11,16-18H2,1H3,(H2,24,25).
What are the key properties of N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide?
N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide has a molecular weight of 372.55 g/mol, XLogP of 5.40, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(4-undecylphenyl)acetyl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 172982355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).