N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide

C22H20N2O2 — CID 4928953

IUPACN-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O2/c1-3-14-26-21-11-7-6-10-20(21)22(25)24-23-16(2)18-13-12-17-8-4-5-9-19(17)15-18/h3-13,15H,1,14H2,2H3,(H,24,25)
InChIKeyJEPNVHPUCMYRNW-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.56
Rot. Bonds6

About N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide

N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide (PubChem CID 4928953) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
PubChem CID4928953
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=C(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H20N2O2/c1-3-14-26-21-11-7-6-10-20(21)22(25)24-23-16(2)18-13-12-17-8-4-5-9-19(17)15-18/h3-13,15H,1,14H2,2H3,(H,24,25)
InChIKeyJEPNVHPUCMYRNW-UHFFFAOYSA-N
XLogP4.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[(E)-pentan-2-ylideneamino]-2-prop-2-enoxybenzamide
CID 54785708
N-[1-(4-hydroxyphenyl)propylideneamino]-2-prop-2-enoxybenzamide
CID 4928957
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
CID 17126917

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide?
The IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide (CID 4928953) is N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide?
The canonical SMILES for N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=C(C)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide?
The InChIKey is JEPNVHPUCMYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-14-26-21-11-7-6-10-20(21)22(25)24-23-16(2)18-13-12-17-8-4-5-9-19(17)15-18/h3-13,15H,1,14H2,2H3,(H,24,25).
What are the key properties of N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide?
N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethylideneamino)-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).