2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide

C25H29ClN2O4 — CID 88921333

IUPAC2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC/C2=N/OCc1ccc(Cl)cc1)NCC1CCOCC1
InChIInChI=1S/C25H29ClN2O4/c26-21-6-4-19(5-7-21)16-32-28-24-3-1-2-20-14-22(8-9-23(20)24)31-17-25(29)27-15-18-10-12-30-13-11-18/h4-9,14,18H,1-3,10-13,15-17H2,(H,27,29)/b28-24-
InChIKeyNYIXYUIFYNOOLT-COOPMVRXSA-N
MW456.97 g/mol
LogP4.52
Rot. Bonds8

About 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide

2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 88921333) has the molecular formula C25H29ClN2O4 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID88921333
Molecular FormulaC25H29ClN2O4
Molecular Weight456.97 g/mol
Exact Mass456.18
IUPAC Name2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC/C2=N/OCc1ccc(Cl)cc1)NCC1CCOCC1
InChIInChI=1S/C25H29ClN2O4/c26-21-6-4-19(5-7-21)16-32-28-24-3-1-2-20-14-22(8-9-23(20)24)31-17-25(29)27-15-18-10-12-30-13-11-18/h4-9,14,18H,1-3,10-13,15-17H2,(H,27,29)/b28-24-
InChIKeyNYIXYUIFYNOOLT-COOPMVRXSA-N
XLogP4.52
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 3-[[[6-[2-(oxan-4-ylmethylamino)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]amino]oxymethyl]benzoate
CID 76528768
2-[4-[C-benzyl-N-[(4-chlorophenyl)methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528633
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71737015
1-(4-methylpiperazin-1-yl)-2-[[(5E)-5-[[4-(trifluoromethyl)phenyl]methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]ethanone
CID 72694922
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-[4-[2-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 173469232
2-[4-[(Z)-C-methyl-N-(oxan-4-ylmethoxy)carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921448
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534220

Frequently Asked Questions

What is the IUPAC name of 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide (CID 88921333) is 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide is O=C(COc1ccc2c(c1)CCC/C2=N/OCc1ccc(Cl)cc1)NCC1CCOCC1.
What is the InChIKey of 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is NYIXYUIFYNOOLT-COOPMVRXSA-N. The full InChI is InChI=1S/C25H29ClN2O4/c26-21-6-4-19(5-7-21)16-32-28-24-3-1-2-20-14-22(8-9-23(20)24)31-17-25(29)27-15-18-10-12-30-13-11-18/h4-9,14,18H,1-3,10-13,15-17H2,(H,27,29)/b28-24-.
What are the key properties of 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide?
2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 456.97 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5Z)-5-[(4-chlorophenyl)methoxyimino]-7,8-dihydro-6H-naphthalen-2-yl]oxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 88921333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).