(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide

C21H24N2O2 — CID 92640740

IUPAC(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C21H24N2O2/c1-16(21(24)23-22-19-10-6-3-7-11-19)25-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyQXDQIRNNRIRUSW-INIZCTEOSA-N
MW336.44 g/mol
LogP4.56
Rot. Bonds5

About (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide

(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide (PubChem CID 92640740) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
PubChem CID92640740
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C21H24N2O2/c1-16(21(24)23-22-19-10-6-3-7-11-19)25-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyQXDQIRNNRIRUSW-INIZCTEOSA-N
XLogP4.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.56
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'}

Analyze (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)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-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
CID 3584693
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
CID 4196461
(2R)-N-(2-oxopiperidin-1-yl)-2-(4-phenylphenoxy)propanamide
CID 99591178
N-(cyclohexylideneamino)-2,2-diphenylacetamide
CID 968754
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide (CID 92640740) is (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide is C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=C1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide?
The InChIKey is QXDQIRNNRIRUSW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(21(24)23-22-19-10-6-3-7-11-19)25-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16H,3,6-7,10-11H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide?
(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 92640740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).