4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one

C18H27NO — CID 63483006

IUPAC4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)c2ccc(C)cc2)C1
InChIInChI=1S/C18H27NO/c1-4-15-8-11-18(20)16(12-15)13-19(5-2)17-9-6-14(3)7-10-17/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3
InChIKeyBIGGRVDTBQQMNJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds5

About 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one

4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one (PubChem CID 63483006) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
PubChem CID63483006
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(CC)c2ccc(C)cc2)C1
InChIInChI=1S/C18H27NO/c1-4-15-8-11-18(20)16(12-15)13-19(5-2)17-9-6-14(3)7-10-17/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3
InChIKeyBIGGRVDTBQQMNJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one (CID 63483006) is 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(CC)c2ccc(C)cc2)C1.
What is the InChIKey of 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one?
The InChIKey is BIGGRVDTBQQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-15-8-11-18(20)16(12-15)13-19(5-2)17-9-6-14(3)7-10-17/h6-7,9-10,15-16H,4-5,8,11-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one?
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one is sourced from PubChem (CID 63483006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).