N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide

C19H21IN2O3 — CID 19060884

IUPACN-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC
InChIInChI=1S/C19H21IN2O3/c1-4-24-17-11-14(10-16(20)18(17)25-5-2)12-21-22-19(23)15-9-7-6-8-13(15)3/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12+
InChIKeyGMHXHPWLIXVERK-CIAFOILYSA-N
MW452.29 g/mol
LogP4.16
Rot. Bonds7

About N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide

N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide (PubChem CID 19060884) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
PubChem CID19060884
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC NameN-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC
InChIInChI=1S/C19H21IN2O3/c1-4-24-17-11-14(10-16(20)18(17)25-5-2)12-21-22-19(23)15-9-7-6-8-13(15)3/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12+
InChIKeyGMHXHPWLIXVERK-CIAFOILYSA-N
XLogP4.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19061167
2-bromo-N-[(Z)-(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 124537135
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 21380084
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046703
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060893
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide (CID 19060884) is N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide is CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OCC.
What is the InChIKey of N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is GMHXHPWLIXVERK-CIAFOILYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-4-24-17-11-14(10-16(20)18(17)25-5-2)12-21-22-19(23)15-9-7-6-8-13(15)3/h6-12H,4-5H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide?
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 452.29 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19060884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).