2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide

C23H29N3O3 — CID 56503994

IUPAC2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide
SMILESN/C(=N/OCC(=O)NCC1CCCCC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H29N3O3/c24-23(26-29-17-22(27)25-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)28-16-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H2,24,26)(H,25,27)
InChIKeyMJDVGJGEFNTRIR-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.60
Rot. Bonds9

About 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide

2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide (PubChem CID 56503994) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide
PubChem CID56503994
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide
SMILESN/C(=N/OCC(=O)NCC1CCCCC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H29N3O3/c24-23(26-29-17-22(27)25-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)28-16-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H2,24,26)(H,25,27)
InChIKeyMJDVGJGEFNTRIR-UHFFFAOYSA-N
XLogP3.60
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
3-[[2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 56502458
N-carbamoyl-N-cyclohexyl-2-phenylmethoxybenzamide
CID 174656216
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7440355

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide (CID 56503994) is 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide is N/C(=N/OCC(=O)NCC1CCCCC1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide?
The InChIKey is MJDVGJGEFNTRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c24-23(26-29-17-22(27)25-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)28-16-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide?
2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 56503994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).