N-(cyclohexylideneamino)-4-(diethylamino)benzamide

C17H25N3O — CID 7929020

IUPACN-(cyclohexylideneamino)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C17H25N3O/c1-3-20(4-2)16-12-10-14(11-13-16)17(21)19-18-15-8-6-5-7-9-15/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyHNSQSCJJLQOSAE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.58
Rot. Bonds5

About N-(cyclohexylideneamino)-4-(diethylamino)benzamide

N-(cyclohexylideneamino)-4-(diethylamino)benzamide (PubChem CID 7929020) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-(diethylamino)benzamide
PubChem CID7929020
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(cyclohexylideneamino)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=C2CCCCC2)cc1
InChIInChI=1S/C17H25N3O/c1-3-20(4-2)16-12-10-14(11-13-16)17(21)19-18-15-8-6-5-7-9-15/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyHNSQSCJJLQOSAE-UHFFFAOYSA-N
XLogP3.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
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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Related Compounds

N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122432
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224
4-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide
CID 7765364
4-[benzyl(methylsulfonyl)amino]-N-(cycloheptylideneamino)benzamide
CID 1107783
N-(cyclododecylideneamino)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126034660
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146935

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-(diethylamino)benzamide?
The IUPAC name of N-(cyclohexylideneamino)-4-(diethylamino)benzamide (CID 7929020) is N-(cyclohexylideneamino)-4-(diethylamino)benzamide.
What is the SMILES notation for N-(cyclohexylideneamino)-4-(diethylamino)benzamide?
The canonical SMILES for N-(cyclohexylideneamino)-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NN=C2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-(diethylamino)benzamide?
The InChIKey is HNSQSCJJLQOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20(4-2)16-12-10-14(11-13-16)17(21)19-18-15-8-6-5-7-9-15/h10-13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclohexylideneamino)-4-(diethylamino)benzamide?
N-(cyclohexylideneamino)-4-(diethylamino)benzamide has a molecular weight of 287.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-(diethylamino)benzamide is sourced from PubChem (CID 7929020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).