N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C15H23N3O — CID 87490522

IUPACN-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C(C)=N/OC)cc1C
InChIInChI=1S/C15H23N3O/c1-7-18(5)10-16-15-9-11(2)14(8-12(15)3)13(4)17-19-6/h8-10H,7H2,1-6H3/b16-10+,17-13+
InChIKeyQBEIHGPGUYIBQL-QKXOVSGLSA-N
MW261.37 g/mol
LogP3.29
Rot. Bonds5

About N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 87490522) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID87490522
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(/C(C)=N/OC)cc1C
InChIInChI=1S/C15H23N3O/c1-7-18(5)10-16-15-9-11(2)14(8-12(15)3)13(4)17-19-6/h8-10H,7H2,1-6H3/b16-10+,17-13+
InChIKeyQBEIHGPGUYIBQL-QKXOVSGLSA-N
XLogP3.29
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.29
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-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 87490522) is N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(/C(C)=N/OC)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is QBEIHGPGUYIBQL-QKXOVSGLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-7-18(5)10-16-15-9-11(2)14(8-12(15)3)13(4)17-19-6/h8-10H,7H2,1-6H3/b16-10+,17-13+.
What are the key properties of N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 261.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 87490522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).