N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide

C23H24N2O3 — CID 133169592

IUPACN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O3/c1-3-15-28-19-12-9-18(10-13-19)23(26)25-24-16-21-20-8-6-5-7-17(20)11-14-22(21)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)/b24-16+
InChIKeyBCGVOZFWVROZOU-LFVJCYFKSA-N
MW376.46 g/mol
LogP4.79
Rot. Bonds8

About N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide (PubChem CID 133169592) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
PubChem CID133169592
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O3/c1-3-15-28-19-12-9-18(10-13-19)23(26)25-24-16-21-20-8-6-5-7-17(20)11-14-22(21)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)/b24-16+
InChIKeyBCGVOZFWVROZOU-LFVJCYFKSA-N
XLogP4.79
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
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

N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3455562
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
CID 135717106
N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 1124786
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3702241

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide (CID 133169592) is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide?
The InChIKey is BCGVOZFWVROZOU-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-15-28-19-12-9-18(10-13-19)23(26)25-24-16-21-20-8-6-5-7-17(20)11-14-22(21)27-4-2/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)/b24-16+.
What are the key properties of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide?
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).