(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone

C24H21N3O2 — CID 138614967

IUPAC(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone
SMILES[H]/N=C(\C)c1cc(C(=O)c2cc3c(OCc4ccccc4)cccc3[nH]2)ccc1N
InChIInChI=1S/C24H21N3O2/c1-15(25)18-12-17(10-11-20(18)26)24(28)22-13-19-21(27-22)8-5-9-23(19)29-14-16-6-3-2-4-7-16/h2-13,25,27H,14,26H2,1H3/b25-15+
InChIKeyQVBDCLUIISBVGM-MFKUBSTISA-N
MW383.45 g/mol
LogP4.95
Rot. Bonds6

About (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone

(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 138614967) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID138614967
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone
SMILES[H]/N=C(\C)c1cc(C(=O)c2cc3c(OCc4ccccc4)cccc3[nH]2)ccc1N
InChIInChI=1S/C24H21N3O2/c1-15(25)18-12-17(10-11-20(18)26)24(28)22-13-19-21(27-22)8-5-9-23(19)29-14-16-6-3-2-4-7-16/h2-13,25,27H,14,26H2,1H3/b25-15+
InChIKeyQVBDCLUIISBVGM-MFKUBSTISA-N
XLogP4.95
TPSA91.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
CID 175194329
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide
CID 134990594
2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
3-[[6-amino-5-[3-methoxy-4-[(4-phenylmethoxy-1H-indole-2-carbonyl)amino]benzenecarboximidoyl]pyrimidin-4-yl]amino]pentylazanium
CID 142967742
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
methyl 6-hydroxy-4-phenylmethoxy-1H-indole-2-carboxylate
CID 72545836
ethyl 4-methyl-6-phenylmethoxy-1H-indole-2-carboxylate
CID 22720009
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
CID 53374734
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone (CID 138614967) is (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone is [H]/N=C(\C)c1cc(C(=O)c2cc3c(OCc4ccccc4)cccc3[nH]2)ccc1N.
What is the InChIKey of (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is QVBDCLUIISBVGM-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15(25)18-12-17(10-11-20(18)26)24(28)22-13-19-21(27-22)8-5-9-23(19)29-14-16-6-3-2-4-7-16/h2-13,25,27H,14,26H2,1H3/b25-15+.
What are the key properties of (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone?
(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 383.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 138614967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).