N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

C18H20N2O3 — CID 5154749

IUPACN-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-14-6-8-17(9-7-14)22-10-11-23-18-5-3-4-16(12-18)13-19-20-15(2)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyDLZZUQIQGYRAEX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.92
Rot. Bonds7

About N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (PubChem CID 5154749) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
PubChem CID5154749
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-14-6-8-17(9-7-14)22-10-11-23-18-5-3-4-16(12-18)13-19-20-15(2)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyDLZZUQIQGYRAEX-UHFFFAOYSA-N
XLogP2.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 3720549
(NE)-N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42203886
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (CID 5154749) is N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is CC(=O)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1.
What is the InChIKey of N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is DLZZUQIQGYRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14-6-8-17(9-7-14)22-10-11-23-18-5-3-4-16(12-18)13-19-20-15(2)21/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5154749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).