N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide

C19H19N3O3 — CID 133169392

IUPACN-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1
InChIInChI=1S/C19H19N3O3/c1-2-12-24-17-9-7-15(8-10-17)19(23)22-21-14-16-5-3-4-6-18(16)25-13-11-20/h3-10,14H,2,12-13H2,1H3,(H,22,23)/b21-14+
InChIKeyOPQWOIDYTSJUNC-KGENOOAVSA-N
MW337.38 g/mol
LogP3.14
Rot. Bonds8

About N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide

N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide (PubChem CID 133169392) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
PubChem CID133169392
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1
InChIInChI=1S/C19H19N3O3/c1-2-12-24-17-9-7-15(8-10-17)19(23)22-21-14-16-5-3-4-6-18(16)25-13-11-20/h3-10,14H,2,12-13H2,1H3,(H,22,23)/b21-14+
InChIKeyOPQWOIDYTSJUNC-KGENOOAVSA-N
XLogP3.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.14
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

4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
3-methoxy-4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126323397
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(Z)-[5-chloro-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 92659078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide (CID 133169392) is N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1.
What is the InChIKey of N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The InChIKey is OPQWOIDYTSJUNC-KGENOOAVSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-12-24-17-9-7-15(8-10-17)19(23)22-21-14-16-5-3-4-6-18(16)25-13-11-20/h3-10,14H,2,12-13H2,1H3,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).