N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide

C22H27N3O — CID 3700372

IUPACN-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide
SMILESCC(NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(23-20-15-9-4-10-16-20)22(26)25-24-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20,23H,4,9-10,15-16H2,1H3,(H,25,26)
InChIKeyRKMCCWUZWZLIOF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.87
Rot. Bonds6

About N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide

N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide (PubChem CID 3700372) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide
PubChem CID3700372
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide
SMILESCC(NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O/c1-17(23-20-15-9-4-10-16-20)22(26)25-24-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20,23H,4,9-10,15-16H2,1H3,(H,25,26)
InChIKeyRKMCCWUZWZLIOF-UHFFFAOYSA-N
XLogP3.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.87
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'}

Analyze N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
2-(cyclohexylamino)-N'-(diphenylmethylene)acetohydrazide
CID 1479790
N'-(diphenylmethylene)-2-(1-pyrrolidinyl)acetohydrazide
CID 3725669
N'-(diphenylmethylene)-2-morpholinopropanohydrazide
CID 3784892
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-(1-phenylethyl)acetamide
CID 5070821
2,2-Diphenyl-N-({N'-[(1E)-1-phenylethylidene]hydrazinecarbonyl}methyl)acetamide
CID 5339599
N-[1-Methyl-2-phenyl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-2,2-diphenyl-acetamide
CID 6370868

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide (CID 3700372) is N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide is CC(NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide?
The InChIKey is RKMCCWUZWZLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17(23-20-15-9-4-10-16-20)22(26)25-24-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,20,23H,4,9-10,15-16H2,1H3,(H,25,26).
What are the key properties of N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide?
N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide has a molecular weight of 349.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(cyclohexylamino)propanamide is sourced from PubChem (CID 3700372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).