N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide

C14H20N2O — CID 53437432

IUPACN-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(c1ccccc1OC)C(C)(C)C
InChIInChI=1S/C14H20N2O/c1-6-13(15)16(14(2,3)4)11-9-7-8-10-12(11)17-5/h6-10,15H,1H2,2-5H3/b15-13+
InChIKeyAZKBAKDENUFNFY-FYWRMAATSA-N
MW232.33 g/mol
LogP3.46
Rot. Bonds3

About N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide

N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide (PubChem CID 53437432) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide
PubChem CID53437432
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide
SMILES[H]/N=C(\C=C)N(c1ccccc1OC)C(C)(C)C
InChIInChI=1S/C14H20N2O/c1-6-13(15)16(14(2,3)4)11-9-7-8-10-12(11)17-5/h6-10,15H,1H2,2-5H3/b15-13+
InChIKeyAZKBAKDENUFNFY-FYWRMAATSA-N
XLogP3.46
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide?
The IUPAC name of N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide (CID 53437432) is N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide.
What is the SMILES notation for N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide?
The canonical SMILES for N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide is [H]/N=C(\C=C)N(c1ccccc1OC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide?
The InChIKey is AZKBAKDENUFNFY-FYWRMAATSA-N. The full InChI is InChI=1S/C14H20N2O/c1-6-13(15)16(14(2,3)4)11-9-7-8-10-12(11)17-5/h6-10,15H,1H2,2-5H3/b15-13+.
What are the key properties of N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide?
N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide has a molecular weight of 232.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-methoxyphenyl)prop-2-enimidamide is sourced from PubChem (CID 53437432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).