4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide

C20H31N3O — CID 7765364

IUPAC4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1
InChIInChI=1S/C20H31N3O/c1-6-23(7-2)18-10-8-16(9-11-18)19(24)22-21-17-12-15(3)13-20(4,5)14-17/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,24)/b21-17-/t15-/m1/s1
InChIKeyCTOUVWSEDRSQKD-OVFHLDOESA-N
MW329.49 g/mol
LogP4.46
Rot. Bonds5

About 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide

4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide (PubChem CID 7765364) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide
PubChem CID7765364
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1
InChIInChI=1S/C20H31N3O/c1-6-23(7-2)18-10-8-16(9-11-18)19(24)22-21-17-12-15(3)13-20(4,5)14-17/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,24)/b21-17-/t15-/m1/s1
InChIKeyCTOUVWSEDRSQKD-OVFHLDOESA-N
XLogP4.46
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.46
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

4-(Diethylamino)benzohydrazide
CID 2063864
N'-[4-(diethylamino)benzylidene]benzohydrazide
CID 6870927
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}benzohydrazide
CID 6861475
Acyl Hydrazone, 8
CID 6898921
N-{4-[(4S)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}benzamide
CID 23647043
N-(4-{[2-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)hydrazino]carbonyl}phenyl)-3-methylbenzamide
CID 9653017
N'-[4-(dimethylamino)benzoyl]adamantane-1-carbohydrazide
CID 4884180
N-(6-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-oxohexyl)benzamide
CID 5839600
N-(4-{[(2E)-2-(bicyclo[2.2.1]hept-5-en-2-ylmethylene)hydrazino]carbonyl}phenyl)acetamide
CID 46501354
4-(dimethylamino)-N'-[1-(3,4-dimethylphenyl)ethylidene]benzohydrazide
CID 9563472
N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)phenyl]benzamide
CID 45489076
LASSBio-1911
CID 122601008

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide (CID 7765364) is 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide is CCN(CC)c1ccc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide?
The InChIKey is CTOUVWSEDRSQKD-OVFHLDOESA-N. The full InChI is InChI=1S/C20H31N3O/c1-6-23(7-2)18-10-8-16(9-11-18)19(24)22-21-17-12-15(3)13-20(4,5)14-17/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,24)/b21-17-/t15-/m1/s1.
What are the key properties of 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide?
4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide has a molecular weight of 329.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 7765364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).