4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide

C16H21N3O2 — CID 910317

IUPAC4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-15(10-11)18-19-16(21)13-6-8-14(9-7-13)17-12(2)20/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,19,21)/t11-/m1/s1
InChIKeyQOBNRFCDCWIJRB-LLVKDONJSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds3

About 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide

4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 910317) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
PubChem CID910317
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=C2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-3-5-15(10-11)18-19-16(21)13-6-8-14(9-7-13)17-12(2)20/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,19,21)/t11-/m1/s1
InChIKeyQOBNRFCDCWIJRB-LLVKDONJSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
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 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide (CID 910317) is 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide is CC(=O)Nc1ccc(C(=O)NN=C2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is QOBNRFCDCWIJRB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-3-5-15(10-11)18-19-16(21)13-6-8-14(9-7-13)17-12(2)20/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,19,21)/t11-/m1/s1.
What are the key properties of 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide?
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 910317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).