N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide

C19H19N3O3 — CID 3293979

IUPACN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(C)c2)ccc1OCC#N
InChIInChI=1S/C19H19N3O3/c1-3-24-18-12-15(7-8-17(18)25-10-9-20)13-21-22-19(23)16-6-4-5-14(2)11-16/h4-8,11-13H,3,10H2,1-2H3,(H,22,23)
InChIKeyRCQQZSSRMQMQMB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.06
Rot. Bonds7

About N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide

N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide (PubChem CID 3293979) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide
PubChem CID3293979
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(C)c2)ccc1OCC#N
InChIInChI=1S/C19H19N3O3/c1-3-24-18-12-15(7-8-17(18)25-10-9-20)13-21-22-19(23)16-6-4-5-14(2)11-16/h4-8,11-13H,3,10H2,1-2H3,(H,22,23)
InChIKeyRCQQZSSRMQMQMB-UHFFFAOYSA-N
XLogP3.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.06
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

3-bromo-N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 3886581
[2-ethoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 6028058
[2-ethoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6092330
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-methylbenzamide
CID 137051313
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N-[(E)-[3-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126270249
N-[(E)-[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 39366622
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638
4-ethoxy-3-methoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126317421

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide?
The IUPAC name of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide (CID 3293979) is N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide is CCOc1cc(C=NNC(=O)c2cccc(C)c2)ccc1OCC#N.
What is the InChIKey of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide?
The InChIKey is RCQQZSSRMQMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-24-18-12-15(7-8-17(18)25-10-9-20)13-21-22-19(23)16-6-4-5-14(2)11-16/h4-8,11-13H,3,10H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide?
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide is sourced from PubChem (CID 3293979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).