N'-(cyclohexylideneamino)-N-phenylbutanediamide

C16H21N3O2 — CID 868528

IUPACN'-(cyclohexylideneamino)-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-15(17-13-7-3-1-4-8-13)11-12-16(21)19-18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)(H,19,21)
InChIKeyNBUXLFDZQPTKAU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds5

About N'-(cyclohexylideneamino)-N-phenylbutanediamide

N'-(cyclohexylideneamino)-N-phenylbutanediamide (PubChem CID 868528) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-(cyclohexylideneamino)-N-phenylbutanediamide.

Molecular Properties

Compound NameN'-(cyclohexylideneamino)-N-phenylbutanediamide
PubChem CID868528
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-(cyclohexylideneamino)-N-phenylbutanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-15(17-13-7-3-1-4-8-13)11-12-16(21)19-18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)(H,19,21)
InChIKeyNBUXLFDZQPTKAU-UHFFFAOYSA-N
XLogP2.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylideneamino)-N-phenylbutanediamide?
The IUPAC name of N'-(cyclohexylideneamino)-N-phenylbutanediamide (CID 868528) is N'-(cyclohexylideneamino)-N-phenylbutanediamide.
What is the SMILES notation for N'-(cyclohexylideneamino)-N-phenylbutanediamide?
The canonical SMILES for N'-(cyclohexylideneamino)-N-phenylbutanediamide is O=C(CCC(=O)Nc1ccccc1)NN=C1CCCCC1.
What is the InChIKey of N'-(cyclohexylideneamino)-N-phenylbutanediamide?
The InChIKey is NBUXLFDZQPTKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(17-13-7-3-1-4-8-13)11-12-16(21)19-18-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)(H,19,21).
What are the key properties of N'-(cyclohexylideneamino)-N-phenylbutanediamide?
N'-(cyclohexylideneamino)-N-phenylbutanediamide has a molecular weight of 287.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylideneamino)-N-phenylbutanediamide is sourced from PubChem (CID 868528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).