N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide

C25H35N3O2 — CID 101272728

IUPACN'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
SMILESCCCC(Nc1ccc(OC)cc1)/C(=N\C1CCCCC1)Nc1ccc(OC)cc1
InChIInChI=1S/C25H35N3O2/c1-4-8-24(26-20-11-15-22(29-2)16-12-20)25(27-19-9-6-5-7-10-19)28-21-13-17-23(30-3)18-14-21/h11-19,24,26H,4-10H2,1-3H3,(H,27,28)
InChIKeyMJSGVLZOJAQYIA-UHFFFAOYSA-N
MW409.57 g/mol
LogP6.13
Rot. Bonds9

About N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide

N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide (PubChem CID 101272728) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
PubChem CID101272728
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide
SMILESCCCC(Nc1ccc(OC)cc1)/C(=N\C1CCCCC1)Nc1ccc(OC)cc1
InChIInChI=1S/C25H35N3O2/c1-4-8-24(26-20-11-15-22(29-2)16-12-20)25(27-19-9-6-5-7-10-19)28-21-13-17-23(30-3)18-14-21/h11-19,24,26H,4-10H2,1-3H3,(H,27,28)
InChIKeyMJSGVLZOJAQYIA-UHFFFAOYSA-N
XLogP6.13
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide?
The IUPAC name of N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide (CID 101272728) is N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide.
What is the SMILES notation for N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide?
The canonical SMILES for N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide is CCCC(Nc1ccc(OC)cc1)/C(=N\C1CCCCC1)Nc1ccc(OC)cc1.
What is the InChIKey of N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide?
The InChIKey is MJSGVLZOJAQYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-4-8-24(26-20-11-15-22(29-2)16-12-20)25(27-19-9-6-5-7-10-19)28-21-13-17-23(30-3)18-14-21/h11-19,24,26H,4-10H2,1-3H3,(H,27,28).
What are the key properties of N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide?
N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide has a molecular weight of 409.57 g/mol, XLogP of 6.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)pentanimidamide is sourced from PubChem (CID 101272728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).