N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide

C24H21N3O2 — CID 137029695

IUPACN-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
SMILESCOc1cccc2c(/C=N/NC(=O)c3ccc(C)cc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C24H21N3O2/c1-16-11-13-18(14-12-16)24(28)27-25-15-20-19-9-6-10-21(29-2)23(19)26-22(20)17-7-4-3-5-8-17/h3-15,26H,1-2H3,(H,27,28)/b25-15+
InChIKeyMMUORTNBQFCSGT-MFKUBSTISA-N
MW383.45 g/mol
LogP4.92
Rot. Bonds5

About N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide

N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide (PubChem CID 137029695) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
PubChem CID137029695
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
SMILESCOc1cccc2c(/C=N/NC(=O)c3ccc(C)cc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C24H21N3O2/c1-16-11-13-18(14-12-16)24(28)27-25-15-20-19-9-6-10-21(29-2)23(19)26-22(20)17-7-4-3-5-8-17/h3-15,26H,1-2H3,(H,27,28)/b25-15+
InChIKeyMMUORTNBQFCSGT-MFKUBSTISA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137062424
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137173889
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-2,4-dinitroaniline
CID 137062422
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide (CID 137029695) is N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide is COc1cccc2c(/C=N/NC(=O)c3ccc(C)cc3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is MMUORTNBQFCSGT-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-11-13-18(14-12-16)24(28)27-25-15-20-19-9-6-10-21(29-2)23(19)26-22(20)17-7-4-3-5-8-17/h3-15,26H,1-2H3,(H,27,28)/b25-15+.
What are the key properties of N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide?
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 137029695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).