N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide

C15H24N2O — CID 123548806

IUPACN-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide
SMILESCCN/C(=N/CCCc1cccc(O)c1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-16-15(12(2)3)17-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyFZNKPXOZFFWPHD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds6

About N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide

N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide (PubChem CID 123548806) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide
PubChem CID123548806
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide
SMILESCCN/C(=N/CCCc1cccc(O)c1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-16-15(12(2)3)17-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyFZNKPXOZFFWPHD-UHFFFAOYSA-N
XLogP2.99
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide?
The IUPAC name of N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide (CID 123548806) is N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide.
What is the SMILES notation for N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide?
The canonical SMILES for N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide is CCN/C(=N/CCCc1cccc(O)c1)C(C)C.
What is the InChIKey of N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide?
The InChIKey is FZNKPXOZFFWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-16-15(12(2)3)17-10-6-8-13-7-5-9-14(18)11-13/h5,7,9,11-12,18H,4,6,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide?
N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide has a molecular weight of 248.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(3-hydroxyphenyl)propyl]-2-methylpropanimidamide is sourced from PubChem (CID 123548806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).