N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide

C18H20N2O4 — CID 694284

IUPACN-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-12(21)20-15-7-5-14(6-8-15)19-11-13-9-16(22-2)18(24-4)17(10-13)23-3/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKeyRSEXKHDTWMIFLZ-YBFXNURJSA-N
MW328.37 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide

N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide (PubChem CID 694284) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
PubChem CID694284
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
SMILESCOc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O4/c1-12(21)20-15-7-5-14(6-8-15)19-11-13-9-16(22-2)18(24-4)17(10-13)23-3/h5-11H,1-4H3,(H,20,21)/b19-11+
InChIKeyRSEXKHDTWMIFLZ-YBFXNURJSA-N
XLogP3.42
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]phenyl]acetamide
CID 833853
N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
CID 126393613
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 136693653
N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide (CID 694284) is N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide is COc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is RSEXKHDTWMIFLZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)20-15-7-5-14(6-8-15)19-11-13-9-16(22-2)18(24-4)17(10-13)23-3/h5-11H,1-4H3,(H,20,21)/b19-11+.
What are the key properties of N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).