3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide

C23H30N2O5 — CID 126324922

IUPAC3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-5-12-29-19-10-8-17(14-21(19)27-4)16-24-25-23(26)18-9-11-20(30-13-6-2)22(15-18)28-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,26)/b24-16+
InChIKeyZLWANQGIOIPVSW-LFVJCYFKSA-N
MW414.50 g/mol
LogP4.44
Rot. Bonds12

About 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide

3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 126324922) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID126324922
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-5-12-29-19-10-8-17(14-21(19)27-4)16-24-25-23(26)18-9-11-20(30-13-6-2)22(15-18)28-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,26)/b24-16+
InChIKeyZLWANQGIOIPVSW-LFVJCYFKSA-N
XLogP4.44
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-[[2-ethoxy-4-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126331066
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126320468
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 137160405
N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide (CID 126324922) is 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC.
What is the InChIKey of 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is ZLWANQGIOIPVSW-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-5-12-29-19-10-8-17(14-21(19)27-4)16-24-25-23(26)18-9-11-20(30-13-6-2)22(15-18)28-7-3/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,25,26)/b24-16+.
What are the key properties of 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide?
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 414.50 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 126324922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).