2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

C22H32N2O5 — CID 88921448

IUPAC2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESC/C(=N/OCC1CCOCC1)c1ccc(OCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C22H32N2O5/c1-17(24-29-15-19-8-12-27-13-9-19)20-2-4-21(5-3-20)28-16-22(25)23-14-18-6-10-26-11-7-18/h2-5,18-19H,6-16H2,1H3,(H,23,25)/b24-17-
InChIKeyQFUWXMNVVSRONK-ULJHMMPZSA-N
MW404.51 g/mol
LogP2.78
Rot. Bonds9

About 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 88921448) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID88921448
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESC/C(=N/OCC1CCOCC1)c1ccc(OCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C22H32N2O5/c1-17(24-29-15-19-8-12-27-13-9-19)20-2-4-21(5-3-20)28-16-22(25)23-14-18-6-10-26-11-7-18/h2-5,18-19H,6-16H2,1H3,(H,23,25)/b24-17-
InChIKeyQFUWXMNVVSRONK-ULJHMMPZSA-N
XLogP2.78
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methyl-2-[4-[C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 140667230
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
2-[4-[(Z)-C-ethyl-N-(5-ethylpyrimidin-2-yl)oxycarbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921555
2-[4-[C-benzyl-N-[(4-chlorophenyl)methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528633
2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71737015
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-methyl-2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)propanamide
CID 57415357
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 88921448) is 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is C/C(=N/OCC1CCOCC1)c1ccc(OCC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is QFUWXMNVVSRONK-ULJHMMPZSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-17(24-29-15-19-8-12-27-13-9-19)20-2-4-21(5-3-20)28-16-22(25)23-14-18-6-10-26-11-7-18/h2-5,18-19H,6-16H2,1H3,(H,23,25)/b24-17-.
What are the key properties of 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 88921448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).