N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide

C18H25N3O2 — CID 828144

IUPACN-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-13(2)16(19-17(22)14-9-5-3-6-10-14)18(23)21-20-15-11-7-4-8-12-15/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3,(H,19,22)(H,21,23)/t16-/m1/s1
InChIKeyXMMNKKDGNURASI-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.88
Rot. Bonds5

About N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 828144) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID828144
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C18H25N3O2/c1-13(2)16(19-17(22)14-9-5-3-6-10-14)18(23)21-20-15-11-7-4-8-12-15/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3,(H,19,22)(H,21,23)/t16-/m1/s1
InChIKeyXMMNKKDGNURASI-MRXNPFEDSA-N
XLogP2.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.88
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-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide (CID 828144) is N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NN=C1CCCCC1.
What is the InChIKey of N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XMMNKKDGNURASI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)16(19-17(22)14-9-5-3-6-10-14)18(23)21-20-15-11-7-4-8-12-15/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3,(H,19,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 828144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).