N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

C16H22N2O5 — CID 873045

IUPACN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
SMILESCOc1ccc(C(C)=NNC(=O)CC2(C)OCCO2)c(OC)c1
InChIInChI=1S/C16H22N2O5/c1-11(13-6-5-12(20-3)9-14(13)21-4)17-18-15(19)10-16(2)22-7-8-23-16/h5-6,9H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyZQWFMGUWTRRMEV-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.70
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (PubChem CID 873045) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
PubChem CID873045
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
SMILESCOc1ccc(C(C)=NNC(=O)CC2(C)OCCO2)c(OC)c1
InChIInChI=1S/C16H22N2O5/c1-11(13-6-5-12(20-3)9-14(13)21-4)17-18-15(19)10-16(2)22-7-8-23-16/h5-6,9H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyZQWFMGUWTRRMEV-UHFFFAOYSA-N
XLogP1.70
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5415380
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 5037282
2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 4509528
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 3324224
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3805270
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42991331

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (CID 873045) is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is COc1ccc(C(C)=NNC(=O)CC2(C)OCCO2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The InChIKey is ZQWFMGUWTRRMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11(13-6-5-12(20-3)9-14(13)21-4)17-18-15(19)10-16(2)22-7-8-23-16/h5-6,9H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is sourced from PubChem (CID 873045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).