2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

C24H29ClN2O4 — CID 4535395

IUPAC2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCOc1cc(C=NOCC(=O)NC2CCCCC2C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O4/c1-17-5-3-4-6-21(17)27-24(28)16-31-26-14-19-9-12-22(23(13-19)29-2)30-15-18-7-10-20(25)11-8-18/h7-14,17,21H,3-6,15-16H2,1-2H3,(H,27,28)
InChIKeyLSDGMVNKTSYDPM-UHFFFAOYSA-N
MW444.96 g/mol
LogP4.97
Rot. Bonds9

About 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (PubChem CID 4535395) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
PubChem CID4535395
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCOc1cc(C=NOCC(=O)NC2CCCCC2C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O4/c1-17-5-3-4-6-21(17)27-24(28)16-31-26-14-19-9-12-22(23(13-19)29-2)30-15-18-7-10-20(25)11-8-18/h7-14,17,21H,3-6,15-16H2,1-2H3,(H,27,28)
InChIKeyLSDGMVNKTSYDPM-UHFFFAOYSA-N
XLogP4.97
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 54.97
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

2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7700136
2-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(ethylcarbamoyl)acetamide
CID 7642554
N-(4-chlorophenyl)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 4265176
2-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 126380130
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
CID 24581600
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 3896243
1-[3-[[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 2457541
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 7538622
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (CID 4535395) is 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is COc1cc(C=NOCC(=O)NC2CCCCC2C)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The InChIKey is LSDGMVNKTSYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-17-5-3-4-6-21(17)27-24(28)16-31-26-14-19-9-12-22(23(13-19)29-2)30-15-18-7-10-20(25)11-8-18/h7-14,17,21H,3-6,15-16H2,1-2H3,(H,27,28).
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide has a molecular weight of 444.96 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 4535395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).