N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide

C19H20N2O2 — CID 44722545

IUPACN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-20-13-14-6-7-15-4-3-5-17(15)12-14/h6-13H,2-5H2,1H3,(H,21,22)/b20-13+
InChIKeyZDZIFDVENUJOAP-DEDYPNTBSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds5

About N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide

N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide (PubChem CID 44722545) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
PubChem CID44722545
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-20-13-14-6-7-15-4-3-5-17(15)12-14/h6-13H,2-5H2,1H3,(H,21,22)/b20-13+
InChIKeyZDZIFDVENUJOAP-DEDYPNTBSA-N
XLogP3.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
CID 4646693
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide (CID 44722545) is N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide?
The InChIKey is ZDZIFDVENUJOAP-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-18-10-8-16(9-11-18)19(22)21-20-13-14-6-7-15-4-3-5-17(15)12-14/h6-13H,2-5H2,1H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide?
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 44722545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).