2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide

C23H29N3O4 — CID 76528552

IUPAC2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCCC(=NOCc1ccccc1)c1ccc(OCC(=O)NCC2CCOCC2)nc1
InChIInChI=1S/C23H29N3O4/c1-2-21(26-30-16-19-6-4-3-5-7-19)20-8-9-23(25-15-20)29-17-22(27)24-14-18-10-12-28-13-11-18/h3-9,15,18H,2,10-14,16-17H2,1H3,(H,24,27)
InChIKeyNOYSDLOFTDBMEY-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.33
Rot. Bonds10

About 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide

2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 76528552) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID76528552
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCCC(=NOCc1ccccc1)c1ccc(OCC(=O)NCC2CCOCC2)nc1
InChIInChI=1S/C23H29N3O4/c1-2-21(26-30-16-19-6-4-3-5-7-19)20-8-9-23(25-15-20)29-17-22(27)24-14-18-10-12-28-13-11-18/h3-9,15,18H,2,10-14,16-17H2,1H3,(H,24,27)
InChIKeyNOYSDLOFTDBMEY-UHFFFAOYSA-N
XLogP3.33
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.33
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-[[5-[(E)-C-ethyl-N-[(4-fluorophenyl)methoxy]carbonimidoyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414736
2-[[5-[C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528867
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
2-[[5-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]amino]-N-(oxan-4-ylmethyl)acetamide
CID 57414600
2-[4-[C-benzyl-N-[(4-chlorophenyl)methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528633
3-[5-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]-N-(oxan-4-ylmethyl)propanamide
CID 76528916
2-[4-[(Z)-C-ethyl-N-(5-ethylpyrimidin-2-yl)oxycarbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921555
2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921479
3-[5-[(E)-C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]-N-(oxan-4-ylmethyl)propanamide
CID 57415598
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921448
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91625401

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide (CID 76528552) is 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide is CCC(=NOCc1ccccc1)c1ccc(OCC(=O)NCC2CCOCC2)nc1.
What is the InChIKey of 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is NOYSDLOFTDBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-21(26-30-16-19-6-4-3-5-7-19)20-8-9-23(25-15-20)29-17-22(27)24-14-18-10-12-28-13-11-18/h3-9,15,18H,2,10-14,16-17H2,1H3,(H,24,27).
What are the key properties of 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide?
2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 411.50 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(C-ethyl-N-phenylmethoxycarbonimidoyl)-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 76528552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).