N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide

C20H25N3O — CID 74349954

IUPACN'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=NOCc2ccccc2)cc1C
InChIInChI=1S/C20H25N3O/c1-5-23(4)15-21-20-12-16(2)19(11-17(20)3)13-22-24-14-18-9-7-6-8-10-18/h6-13,15H,5,14H2,1-4H3/b21-15+,22-13?
InChIKeyXRGOLNHJQJIDCP-PTLXCXGDSA-N
MW323.44 g/mol
LogP4.47
Rot. Bonds7

About N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 74349954) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID74349954
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=NOCc2ccccc2)cc1C
InChIInChI=1S/C20H25N3O/c1-5-23(4)15-21-20-12-16(2)19(11-17(20)3)13-22-24-14-18-9-7-6-8-10-18/h6-13,15H,5,14H2,1-4H3/b21-15+,22-13?
InChIKeyXRGOLNHJQJIDCP-PTLXCXGDSA-N
XLogP4.47
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide (CID 74349954) is N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C=NOCc2ccccc2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is XRGOLNHJQJIDCP-PTLXCXGDSA-N. The full InChI is InChI=1S/C20H25N3O/c1-5-23(4)15-21-20-12-16(2)19(11-17(20)3)13-22-24-14-18-9-7-6-8-10-18/h6-13,15H,5,14H2,1-4H3/b21-15+,22-13?.
What are the key properties of N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 323.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-(phenylmethoxyiminomethyl)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 74349954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).