N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

C21H24N2O3 — CID 29154497

IUPACN-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-21(23-22-18-9-5-2-6-10-18)16-26-20-13-11-19(12-14-20)25-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2,(H,23,24)
InChIKeyIJZINOYXQZKFEV-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.08
Rot. Bonds7

About N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide

N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 29154497) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID29154497
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCCC1
InChIInChI=1S/C21H24N2O3/c24-21(23-22-18-9-5-2-6-10-18)16-26-20-13-11-19(12-14-20)25-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2,(H,23,24)
InChIKeyIJZINOYXQZKFEV-UHFFFAOYSA-N
XLogP4.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide 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

N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
N-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(4-cyanophenoxy)acetamide
CID 9316593

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide (CID 29154497) is N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is IJZINOYXQZKFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(23-22-18-9-5-2-6-10-18)16-26-20-13-11-19(12-14-20)25-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2,(H,23,24).
What are the key properties of N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 352.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 29154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).