N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C18H28N2O — CID 170655938

IUPACN'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)CC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O/c1-8-20(7)12-19-16-10-13(2)15(9-14(16)3)17(21)11-18(4,5)6/h9-10,12H,8,11H2,1-7H3/b19-12+
InChIKeyIAKMBZQLFXVJKB-XDHOZWIPSA-N
MW288.44 g/mol
LogP4.53
Rot. Bonds5

About N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 170655938) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID170655938
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)CC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O/c1-8-20(7)12-19-16-10-13(2)15(9-14(16)3)17(21)11-18(4,5)6/h9-10,12H,8,11H2,1-7H3/b19-12+
InChIKeyIAKMBZQLFXVJKB-XDHOZWIPSA-N
XLogP4.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.53
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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Related Compounds

N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655932
N-ethyl-N'-[4-[2-(4-ethylphenyl)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 163372451
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 150453946
N'-[4-[2-(3,4-dichlorophenoxy)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362934
N'-[4-[2-(3,4-dichlorophenyl)sulfanylacetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362961
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820
N'-[4-[2-[2-(difluoromethoxy)phenyl]acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372361
N'-[4-[2-(2-chloro-5-fluoro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362603
N'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372419

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 170655938) is N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C(=O)CC(C)(C)C)cc1C.
What is the InChIKey of N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IAKMBZQLFXVJKB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H28N2O/c1-8-20(7)12-19-16-10-13(2)15(9-14(16)3)17(21)11-18(4,5)6/h9-10,12H,8,11H2,1-7H3/b19-12+.
What are the key properties of N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 288.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,3-dimethylbutanoyl)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 170655938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).