N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide

C20H24N2O4 — CID 5436158

IUPACN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)CC1(C)OCCCO1
InChIInChI=1S/C20H24N2O4/c1-3-24-18-10-9-15-7-4-5-8-16(15)17(18)14-21-22-19(23)13-20(2)25-11-6-12-26-20/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,22,23)/b21-14-
InChIKeyKTXKNJZRSYWDPM-STZFKDTASA-N
MW356.42 g/mol
LogP3.23
Rot. Bonds6

About N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide

N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide (PubChem CID 5436158) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide
PubChem CID5436158
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)CC1(C)OCCCO1
InChIInChI=1S/C20H24N2O4/c1-3-24-18-10-9-15-7-4-5-8-16(15)17(18)14-21-22-19(23)13-20(2)25-11-6-12-26-20/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,22,23)/b21-14-
InChIKeyKTXKNJZRSYWDPM-STZFKDTASA-N
XLogP3.23
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.23
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-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 3717028
2-(azepan-1-yl)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxoacetamide
CID 3737629
(1S,6R,7R)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98476259
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6881664
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 171979122
N-(2,3-dimethylphenyl)-N'-[(2-ethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 4988186
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The IUPAC name of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide (CID 5436158) is N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)CC1(C)OCCCO1.
What is the InChIKey of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
The InChIKey is KTXKNJZRSYWDPM-STZFKDTASA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-24-18-10-9-15-7-4-5-8-16(15)17(18)14-21-22-19(23)13-20(2)25-11-6-12-26-20/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,22,23)/b21-14-.
What are the key properties of N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide?
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-1,3-dioxan-2-yl)acetamide is sourced from PubChem (CID 5436158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).