N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

C31H27N3O2 — CID 5009535

IUPACN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCCc1cccc2c(C=NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)c[nH]c12
InChIInChI=1S/C31H27N3O2/c1-2-23-11-8-13-28-26(19-32-30(23)28)20-33-34-31(35)25-17-15-22(16-18-25)21-36-29-14-7-6-12-27(29)24-9-4-3-5-10-24/h3-20,32H,2,21H2,1H3,(H,34,35)
InChIKeyYWFOAPQXNCHDIQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.74
Rot. Bonds8

About N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 5009535) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID5009535
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC NameN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCCc1cccc2c(C=NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)c[nH]c12
InChIInChI=1S/C31H27N3O2/c1-2-23-11-8-13-28-26(19-32-30(23)28)20-33-34-31(35)25-17-15-22(16-18-25)21-36-29-14-7-6-12-27(29)24-9-4-3-5-10-24/h3-20,32H,2,21H2,1H3,(H,34,35)
InChIKeyYWFOAPQXNCHDIQ-UHFFFAOYSA-N
XLogP6.74
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.74
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

4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
CID 136593729

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 5009535) is N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is CCc1cccc2c(C=NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)c[nH]c12.
What is the InChIKey of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is YWFOAPQXNCHDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-2-23-11-8-13-28-26(19-32-30(23)28)20-33-34-31(35)25-17-15-22(16-18-25)21-36-29-14-7-6-12-27(29)24-9-4-3-5-10-24/h3-20,32H,2,21H2,1H3,(H,34,35).
What are the key properties of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 6.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 5009535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).