N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide

C21H32N2O — CID 163372388

IUPACN'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide
SMILESCC/C(=N\c1cc(C)c(C(=O)CC2CCCC2)cc1C)N(C)CC
InChIInChI=1S/C21H32N2O/c1-6-21(23(5)7-2)22-19-13-15(3)18(12-16(19)4)20(24)14-17-10-8-9-11-17/h12-13,17H,6-11,14H2,1-5H3/b22-21+
InChIKeyCJNKLBUQIIYAPN-QURGRASLSA-N
MW328.50 g/mol
LogP5.46
Rot. Bonds6

About N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide

N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide (PubChem CID 163372388) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide.

Molecular Properties

Compound NameN'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide
PubChem CID163372388
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide
SMILESCC/C(=N\c1cc(C)c(C(=O)CC2CCCC2)cc1C)N(C)CC
InChIInChI=1S/C21H32N2O/c1-6-21(23(5)7-2)22-19-13-15(3)18(12-16(19)4)20(24)14-17-10-8-9-11-17/h12-13,17H,6-11,14H2,1-5H3/b22-21+
InChIKeyCJNKLBUQIIYAPN-QURGRASLSA-N
XLogP5.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.46
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'-[4-(2-cyclopentylacetyl)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 163372419
5-(2-cyclohexylacetyl)-2,3-dihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 118722295
1-[4-(aminomethyl)-2-methylphenyl]-2-cycloheptylethanone
CID 58073973
3-[4-(2-cyclohexylacetyl)-2,5-dimethylphenyl]-1-methyl-1-prop-2-enylthiourea
CID 163372420
3-[4-(2-cyclohexylacetyl)-2,5-dimethylphenyl]-1-methyl-1-propan-2-ylthiourea
CID 163372458
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-cyclopentyl-1-(4-methylpyrimidin-5-yl)ethanone
CID 130871155
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
1-(5-amino-2-bromophenyl)-2-cyclopentylethanone
CID 116602873

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide?
The IUPAC name of N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide (CID 163372388) is N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide.
What is the SMILES notation for N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide?
The canonical SMILES for N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide is CC/C(=N\c1cc(C)c(C(=O)CC2CCCC2)cc1C)N(C)CC.
What is the InChIKey of N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide?
The InChIKey is CJNKLBUQIIYAPN-QURGRASLSA-N. The full InChI is InChI=1S/C21H32N2O/c1-6-21(23(5)7-2)22-19-13-15(3)18(12-16(19)4)20(24)14-17-10-8-9-11-17/h12-13,17H,6-11,14H2,1-5H3/b22-21+.
What are the key properties of N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide?
N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide has a molecular weight of 328.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-cyclopentylacetyl)-2,5-dimethylphenyl]-N-ethyl-N-methylpropanimidamide is sourced from PubChem (CID 163372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).