N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide

C26H27ClN2O4 — CID 133169477

IUPACN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-3-15-32-22-12-10-20(11-13-22)26(30)29-28-17-19-9-14-24(25(16-19)31-4-2)33-18-21-7-5-6-8-23(21)27/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,29,30)/b28-17+
InChIKeyRCHNVSNNINAAJE-OGLMXYFKSA-N
MW466.97 g/mol
LogP5.87
Rot. Bonds11

About N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide

N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide (PubChem CID 133169477) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide
PubChem CID133169477
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1
InChIInChI=1S/C26H27ClN2O4/c1-3-15-32-22-12-10-20(11-13-22)26(30)29-28-17-19-9-14-24(25(16-19)31-4-2)33-18-21-7-5-6-8-23(21)27/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,29,30)/b28-17+
InChIKeyRCHNVSNNINAAJE-OGLMXYFKSA-N
XLogP5.87
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.87
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

N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
N-[(E)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126324551
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 3725894
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 92659154
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 45054795
4-chloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3881547
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658857
ethyl 2-[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 92659149
4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide (CID 133169477) is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1.
What is the InChIKey of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide?
The InChIKey is RCHNVSNNINAAJE-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-3-15-32-22-12-10-20(11-13-22)26(30)29-28-17-19-9-14-24(25(16-19)31-4-2)33-18-21-7-5-6-8-23(21)27/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,29,30)/b28-17+.
What are the key properties of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide?
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide has a molecular weight of 466.97 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).