methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate

C24H31NO5 — CID 90837060

IUPACmethyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate
SMILESC=C(NOCCCCCC1COC(C)(C(=O)OC)OC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H31NO5/c1-18(21-13-12-20-10-6-7-11-22(20)15-21)25-30-14-8-4-5-9-19-16-28-24(2,29-17-19)23(26)27-3/h6-7,10-13,15,19,25H,1,4-5,8-9,14,16-17H2,2-3H3
InChIKeyYWYXRFSOBNXLAM-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.44
Rot. Bonds10

About methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate

methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate (PubChem CID 90837060) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate
PubChem CID90837060
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Namemethyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate
SMILESC=C(NOCCCCCC1COC(C)(C(=O)OC)OC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H31NO5/c1-18(21-13-12-20-10-6-7-11-22(20)15-21)25-30-14-8-4-5-9-19-16-28-24(2,29-17-19)23(26)27-3/h6-7,10-13,15,19,25H,1,4-5,8-9,14,16-17H2,2-3H3
InChIKeyYWYXRFSOBNXLAM-UHFFFAOYSA-N
XLogP4.44
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methyl-5-[5-(1-naphthalen-2-ylethylideneamino)oxypentyl]-1,3-dioxane-2-carboxylate
CID 87571608
5-[4-[1-(3,4-Dimethylphenyl)ethenylamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid
CID 90702503
Methyl 2-methyl-5-[4-(1-phenylethenylamino)oxybutyl]-1,3-dioxane-2-carboxylate
CID 90714296
ethyl 5-ethyl-3-naphthalen-2-yl-2H-1,2-oxazole-5-carboxylate
CID 90781978
2-Methyl-5-[4-[1-(4-phenylphenyl)ethenylamino]oxybutyl]-1,3-dioxane-2-carboxylic acid
CID 90823469
Methyl 2-methyl-5-[4-[1-(4-methylphenyl)prop-1-enylamino]oxybutyl]-1,3-dioxane-2-carboxylate
CID 90829173
Ethyl 3-anthracen-9-yl-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 90874410
2-Methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylic acid
CID 90976745
Methyl 5-[4-[1-(3,4-dimethylphenyl)ethenylamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 90993017
5-[5-[1-(3,4-Dimethylphenyl)ethenylamino]oxypentyl]-2-methyl-1,3-dioxane-2-carboxylic acid
CID 91029770
Methyl 5-[5-[1-(3,4-dimethylphenyl)ethenylamino]oxypentyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 91110638
Methyl 2-methyl-5-[4-[1-(3-methylphenyl)ethenylamino]oxybutyl]-1,3-dioxane-2-carboxylate
CID 91272582

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate?
The IUPAC name of methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate (CID 90837060) is methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate is C=C(NOCCCCCC1COC(C)(C(=O)OC)OC1)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate?
The InChIKey is YWYXRFSOBNXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-18(21-13-12-20-10-6-7-11-22(20)15-21)25-30-14-8-4-5-9-19-16-28-24(2,29-17-19)23(26)27-3/h6-7,10-13,15,19,25H,1,4-5,8-9,14,16-17H2,2-3H3.
What are the key properties of methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate?
methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate has a molecular weight of 413.51 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[5-(1-naphthalen-2-ylethenylamino)oxypentyl]-1,3-dioxane-2-carboxylate is sourced from PubChem (CID 90837060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).