N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide

C19H19N3O3 — CID 6885107

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-15-7-4-13(5-8-15)12-20-22-19(23)18-10-14-6-9-16(24-2)11-17(14)21-18/h4-12,21H,3H2,1-2H3,(H,22,23)/b20-12+
InChIKeyYIQPVYPYVSGXFR-UDWIEESQSA-N
MW337.38 g/mol
LogP3.34
Rot. Bonds6

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 6885107) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
PubChem CID6885107
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-15-7-4-13(5-8-15)12-20-22-19(23)18-10-14-6-9-16(24-2)11-17(14)21-18/h4-12,21H,3H2,1-2H3,(H,22,23)/b20-12+
InChIKeyYIQPVYPYVSGXFR-UDWIEESQSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 6878850
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 9025779
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110526518
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6881094

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide (CID 6885107) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is YIQPVYPYVSGXFR-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-15-7-4-13(5-8-15)12-20-22-19(23)18-10-14-6-9-16(24-2)11-17(14)21-18/h4-12,21H,3H2,1-2H3,(H,22,23)/b20-12+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 6885107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).