N-(4-aminophenyl)-N-ethyl-2-methylhexanamide

C15H24N2O — CID 114245932

IUPACN-(4-aminophenyl)-N-ethyl-2-methylhexanamide
SMILESCCCCC(C)C(=O)N(CC)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-4-6-7-12(3)15(18)17(5-2)14-10-8-13(16)9-11-14/h8-12H,4-7,16H2,1-3H3
InChIKeyAHTIAOQXLPGCQY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.45
Rot. Bonds6

About N-(4-aminophenyl)-N-ethyl-2-methylhexanamide

N-(4-aminophenyl)-N-ethyl-2-methylhexanamide (PubChem CID 114245932) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-2-methylhexanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-2-methylhexanamide
PubChem CID114245932
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-aminophenyl)-N-ethyl-2-methylhexanamide
SMILESCCCCC(C)C(=O)N(CC)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-4-6-7-12(3)15(18)17(5-2)14-10-8-13(16)9-11-14/h8-12H,4-7,16H2,1-3H3
InChIKeyAHTIAOQXLPGCQY-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-2-methylhexanamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-2-methylhexanamide (CID 114245932) is N-(4-aminophenyl)-N-ethyl-2-methylhexanamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-2-methylhexanamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-2-methylhexanamide is CCCCC(C)C(=O)N(CC)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-2-methylhexanamide?
The InChIKey is AHTIAOQXLPGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-7-12(3)15(18)17(5-2)14-10-8-13(16)9-11-14/h8-12H,4-7,16H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-2-methylhexanamide?
N-(4-aminophenyl)-N-ethyl-2-methylhexanamide has a molecular weight of 248.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-2-methylhexanamide is sourced from PubChem (CID 114245932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).