N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

C20H21N3O3 — CID 110526735

IUPACN-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)ccc1OC
InChIInChI=1S/C20H21N3O3/c1-4-26-19-11-14(9-10-18(19)25-3)13-21-22-20(24)17-12-15-7-5-6-8-16(15)23(17)2/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+
InChIKeyLYYKFPSLUCFBNO-FYJGNVAPSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (PubChem CID 110526735) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
PubChem CID110526735
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)ccc1OC
InChIInChI=1S/C20H21N3O3/c1-4-26-19-11-14(9-10-18(19)25-3)13-21-22-20(24)17-12-15-7-5-6-8-16(15)23(17)2/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+
InChIKeyLYYKFPSLUCFBNO-FYJGNVAPSA-N
XLogP3.35
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526834
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
CID 110526774
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120925
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526746
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (CID 110526735) is N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is CCOc1cc(/C=N/NC(=O)c2cc3ccccc3n2C)ccc1OC.
What is the InChIKey of N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The InChIKey is LYYKFPSLUCFBNO-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-26-19-11-14(9-10-18(19)25-3)13-21-22-20(24)17-12-15-7-5-6-8-16(15)23(17)2/h5-13H,4H2,1-3H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110526735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).