[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate

C24H34ClNO5 — CID 25198686

IUPAC[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate
SMILESCC(Oc1ccccc1Cl)C(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1
InChIInChI=1S/C24H34ClNO5/c1-19(30-22-16-11-10-15-21(22)25)24(28)31-26-20-13-8-6-4-2-3-5-7-9-17-23(27)29-18-12-14-20/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3/b26-20-
InChIKeyFEJGCSCYJSYCGY-QOMWVZHYSA-N
MW451.99 g/mol
LogP6.24
Rot. Bonds4

About [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate

[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate (PubChem CID 25198686) has the molecular formula C24H34ClNO5 and a molecular weight of 451.99 g/mol. Its IUPAC name is [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate
PubChem CID25198686
Molecular FormulaC24H34ClNO5
Molecular Weight451.99 g/mol
Exact Mass451.21
IUPAC Name[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate
SMILESCC(Oc1ccccc1Cl)C(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1
InChIInChI=1S/C24H34ClNO5/c1-19(30-22-16-11-10-15-21(22)25)24(28)31-26-20-13-8-6-4-2-3-5-7-9-17-23(27)29-18-12-14-20/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3/b26-20-
InChIKeyFEJGCSCYJSYCGY-QOMWVZHYSA-N
XLogP6.24
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.99
LogP ≤ 56.24
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-methylphenoxy)acetate
CID 25197688
(cyclohexylideneamino) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 13334447
(cyclopentylideneamino) 2-[2-chloro-5-(3,5-dimethyl-2,6-dioxo-4-sulfanyl-1,3,5-triazinan-1-yl)-4-fluorophenoxy]propanoate
CID 175547605
(2S)-2-(2-chlorophenoxy)-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]propanamide
CID 93092105
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
2-(2-chlorophenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895634
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2R)-2-(2-chlorophenoxy)-N-[(2R,6R)-2,6-dimethyloxan-4-yl]propanamide
CID 97252685
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
(2S)-2-(2-chlorophenoxy)-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]propanamide
CID 95776756
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
(2R)-2-hydroxypropanoic acid;oxepan-2-one
CID 161386618

Frequently Asked Questions

What is the IUPAC name of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate?
The IUPAC name of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate (CID 25198686) is [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate.
What is the SMILES notation for [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate?
The canonical SMILES for [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate is CC(Oc1ccccc1Cl)C(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1.
What is the InChIKey of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate?
The InChIKey is FEJGCSCYJSYCGY-QOMWVZHYSA-N. The full InChI is InChI=1S/C24H34ClNO5/c1-19(30-22-16-11-10-15-21(22)25)24(28)31-26-20-13-8-6-4-2-3-5-7-9-17-23(27)29-18-12-14-20/h10-11,15-16,19H,2-9,12-14,17-18H2,1H3/b26-20-.
What are the key properties of [(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate?
[(Z)-(16-oxo-oxacyclohexadec-5-ylidene)amino] 2-(2-chlorophenoxy)propanoate has a molecular weight of 451.99 g/mol, XLogP of 6.24, 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-chlorophenoxy)propanoate is sourced from PubChem (CID 25198686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).