[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate

C24H35NO5 — CID 25197688

IUPAC[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1
InChIInChI=1S/C24H35NO5/c1-20-13-10-11-16-22(20)29-19-24(27)30-25-21-14-8-6-4-2-3-5-7-9-17-23(26)28-18-12-15-21/h10-11,13,16H,2-9,12,14-15,17-19H2,1H3/b25-21-
InChIKeyOHTXPRWOKBEBDV-DAFNUICNSA-N
MW417.55 g/mol
LogP5.51
Rot. Bonds4

About [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate

[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate (PubChem CID 25197688) has the molecular formula C24H35NO5 and a molecular weight of 417.55 g/mol. Its IUPAC name is [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate
PubChem CID25197688
Molecular FormulaC24H35NO5
Molecular Weight417.55 g/mol
Exact Mass417.25
IUPAC Name[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1
InChIInChI=1S/C24H35NO5/c1-20-13-10-11-16-22(20)29-19-24(27)30-25-21-14-8-6-4-2-3-5-7-9-17-23(26)28-18-12-15-21/h10-11,13,16H,2-9,12,14-15,17-19H2,1H3/b25-21-
InChIKeyOHTXPRWOKBEBDV-DAFNUICNSA-N
XLogP5.51
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate
CID 25198686
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
diethyl benzene-1,2-dicarboxylate;oxolan-2-one
CID 161111300
2-(diethylamino)ethyl 2-(2-methylphenoxy)acetate
CID 2176414
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-(2-methylphenoxy)acetate
CID 23937192
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
CID 25239325
sodium 2-(2-methylphenoxy)acetate
CID 23664336
lithium 2-(2-methylphenoxy)acetate
CID 19205696
[(E)-1-(2,4-dimethylphenyl)propan-2-ylideneamino] 2-(2-methylphenoxy)acetate
CID 153439923
(2-acetylphenyl) 2-(2-methylphenoxy)acetate
CID 15211367

Frequently Asked Questions

What is the IUPAC name of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate?
The IUPAC name of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate (CID 25197688) is [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1.
What is the InChIKey of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate?
The InChIKey is OHTXPRWOKBEBDV-DAFNUICNSA-N. The full InChI is InChI=1S/C24H35NO5/c1-20-13-10-11-16-22(20)29-19-24(27)30-25-21-14-8-6-4-2-3-5-7-9-17-23(26)28-18-12-15-21/h10-11,13,16H,2-9,12,14-15,17-19H2,1H3/b25-21-.
What are the key properties of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate?
[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate has a molecular weight of 417.55 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 25197688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).