N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide

C15H22N2O4 — CID 9355431

IUPACN-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCCNC(=O)CO/N=C\c1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-5-8-16-15(18)11-21-17-10-12-9-13(19-2)6-7-14(12)20-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,18)/b17-10-
InChIKeyNNSKVRPMXAPIAZ-YVLHZVERSA-N
MW294.35 g/mol
LogP1.97
Rot. Bonds9

About N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide

N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 9355431) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID9355431
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCCNC(=O)CO/N=C\c1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-5-8-16-15(18)11-21-17-10-12-9-13(19-2)6-7-14(12)20-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,18)/b17-10-
InChIKeyNNSKVRPMXAPIAZ-YVLHZVERSA-N
XLogP1.97
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 46615768
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(thiophen-2-ylmethyl)acetamide
CID 46670959
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43013378
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide (CID 9355431) is N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is CCCCNC(=O)CO/N=C\c1cc(OC)ccc1OC.
What is the InChIKey of N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is NNSKVRPMXAPIAZ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-8-16-15(18)11-21-17-10-12-9-13(19-2)6-7-14(12)20-3/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,16,18)/b17-10-.
What are the key properties of N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide?
N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 9355431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).