[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate

C19H18N2O3 — CID 126609591

IUPAC[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate
SMILESCOc1ccc2c(c1)c(/C(=N/OC(C)=O)c1ccccc1)cn2C
InChIInChI=1S/C19H18N2O3/c1-13(22)24-20-19(14-7-5-4-6-8-14)17-12-21(2)18-10-9-15(23-3)11-16(17)18/h4-12H,1-3H3/b20-19+
InChIKeyHVYURNQMMXAPER-FMQUCBEESA-N
MW322.36 g/mol
LogP3.50
Rot. Bonds4

About [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate

[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate (PubChem CID 126609591) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate
PubChem CID126609591
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate
SMILESCOc1ccc2c(c1)c(/C(=N/OC(C)=O)c1ccccc1)cn2C
InChIInChI=1S/C19H18N2O3/c1-13(22)24-20-19(14-7-5-4-6-8-14)17-12-21(2)18-10-9-15(23-3)11-16(17)18/h4-12H,1-3H3/b20-19+
InChIKeyHVYURNQMMXAPER-FMQUCBEESA-N
XLogP3.50
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate 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

2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70510387
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392
N-[2-(5-methoxy-1-methylindol-3-yl)phenyl]benzamide
CID 177253303
[(E)-1-[1-[4-[(Z)-N-acetyloxy-C-(furan-2-yl)carbonimidoyl]phenyl]-5-methoxyindol-3-yl]heptylideneamino] acetate
CID 145280248
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
(E)-3-(2,4-dimethoxyphenyl)-1-(1-methylindol-3-yl)prop-2-en-1-one
CID 56675195
1-acetyl-5-methoxy-N-phenylindole-3-carboxamide
CID 113212768
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
N-(2,5-dimethoxyphenyl)-1-methylindole-3-carboxamide
CID 25343212
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652

Frequently Asked Questions

What is the IUPAC name of [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate?
The IUPAC name of [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate (CID 126609591) is [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate.
What is the SMILES notation for [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate?
The canonical SMILES for [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate is COc1ccc2c(c1)c(/C(=N/OC(C)=O)c1ccccc1)cn2C.
What is the InChIKey of [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate?
The InChIKey is HVYURNQMMXAPER-FMQUCBEESA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(22)24-20-19(14-7-5-4-6-8-14)17-12-21(2)18-10-9-15(23-3)11-16(17)18/h4-12H,1-3H3/b20-19+.
What are the key properties of [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate?
[(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate has a molecular weight of 322.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(5-methoxy-1-methylindol-3-yl)-phenylmethylidene]amino] acetate is sourced from PubChem (CID 126609591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).