4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide

C27H28N4O — CID 2443438

IUPAC4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C27H28N4O/c1-4-31(5-2)22-17-15-21(16-18-22)27(32)29-28-19-24-23-13-9-10-14-25(23)30(3)26(24)20-11-7-6-8-12-20/h6-19H,4-5H2,1-3H3,(H,29,32)
InChIKeyVIAZQJDJLQVYTH-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.46
Rot. Bonds7

About 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide

4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide (PubChem CID 2443438) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
PubChem CID2443438
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C27H28N4O/c1-4-31(5-2)22-17-15-21(16-18-22)27(32)29-28-19-24-23-13-9-10-14-25(23)30(3)26(24)20-11-7-6-8-12-20/h6-19H,4-5H2,1-3H3,(H,29,32)
InChIKeyVIAZQJDJLQVYTH-UHFFFAOYSA-N
XLogP5.46
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.46
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'}

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Related Compounds

N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
CID 3882567
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
CID 8892980
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2331809
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
CID 18206759

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide (CID 2443438) is 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide is CCN(CC)c1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
The InChIKey is VIAZQJDJLQVYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-4-31(5-2)22-17-15-21(16-18-22)27(32)29-28-19-24-23-13-9-10-14-25(23)30(3)26(24)20-11-7-6-8-12-20/h6-19H,4-5H2,1-3H3,(H,29,32).
What are the key properties of 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide?
4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 2443438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).