N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide

C21H23N3O5 — CID 6878850

IUPACN-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1
InChIInChI=1S/C21H23N3O5/c1-5-29-14-8-6-13(7-9-14)12-22-24-21(25)17-10-15-16(23-17)11-18(26-2)20(28-4)19(15)27-3/h6-12,23H,5H2,1-4H3,(H,24,25)/b22-12+
InChIKeyJYODBTHGCWEJDW-WSDLNYQXSA-N
MW397.43 g/mol
LogP3.36
Rot. Bonds8

About N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide

N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide (PubChem CID 6878850) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
PubChem CID6878850
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1
InChIInChI=1S/C21H23N3O5/c1-5-29-14-8-6-13(7-9-14)12-22-24-21(25)17-10-15-16(23-17)11-18(26-2)20(28-4)19(15)27-3/h6-12,23H,5H2,1-4H3,(H,24,25)/b22-12+
InChIKeyJYODBTHGCWEJDW-WSDLNYQXSA-N
XLogP3.36
TPSA94.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 6885107
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 135651324
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
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
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126327597
[4-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 3514930
3-(2-ethoxyphenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6880808

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide (CID 6878850) is N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)cc1.
What is the InChIKey of N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is JYODBTHGCWEJDW-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-5-29-14-8-6-13(7-9-14)12-22-24-21(25)17-10-15-16(23-17)11-18(26-2)20(28-4)19(15)27-3/h6-12,23H,5H2,1-4H3,(H,24,25)/b22-12+.
What are the key properties of N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide?
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 6878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).