N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C24H32N2O — CID 170655932

IUPACN'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)Cc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C24H32N2O/c1-8-26(7)16-25-22-14-17(2)21(13-18(22)3)23(27)15-19-9-11-20(12-10-19)24(4,5)6/h9-14,16H,8,15H2,1-7H3/b25-16+
InChIKeyNELFQRRIVLKLQQ-PCLIKHOPSA-N
MW364.53 g/mol
LogP5.64
Rot. Bonds6

About N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 170655932) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID170655932
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)Cc2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C24H32N2O/c1-8-26(7)16-25-22-14-17(2)21(13-18(22)3)23(27)15-19-9-11-20(12-10-19)24(4,5)6/h9-14,16H,8,15H2,1-7H3/b25-16+
InChIKeyNELFQRRIVLKLQQ-PCLIKHOPSA-N
XLogP5.64
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 170655932) is N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C(=O)Cc2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is NELFQRRIVLKLQQ-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H32N2O/c1-8-26(7)16-25-22-14-17(2)21(13-18(22)3)23(27)15-19-9-11-20(12-10-19)24(4,5)6/h9-14,16H,8,15H2,1-7H3/b25-16+.
What are the key properties of N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 364.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 170655932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).