N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide

C18H16N2O3 — CID 7037969

IUPACN-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
SMILESC#CCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-2)13-19-20-18(21)15-7-5-4-6-8-15/h1,4-10,12-13H,11H2,2H3,(H,20,21)/b19-13-
InChIKeyFDXALWDNPONDSF-UYRXBGFRSA-N
MW308.34 g/mol
LogP2.47
Rot. Bonds6

About N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide

N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide (PubChem CID 7037969) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
PubChem CID7037969
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
SMILESC#CCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-2)13-19-20-18(21)15-7-5-4-6-8-15/h1,4-10,12-13H,11H2,2H3,(H,20,21)/b19-13-
InChIKeyFDXALWDNPONDSF-UYRXBGFRSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(E)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126307229
2-cyano-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 2306447
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
3-methoxy-4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126323397
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
[(4-methoxy-3-prop-2-ynoxyphenyl)methylideneamino]urea
CID 168533701
2-chloro-N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126059474
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 5158014
N-[1-[2-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3283419

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide (CID 7037969) is N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide is C#CCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide?
The InChIKey is FDXALWDNPONDSF-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-2)13-19-20-18(21)15-7-5-4-6-8-15/h1,4-10,12-13H,11H2,2H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide?
N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 7037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).