N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide

C12H15NO2 — CID 90679985

IUPACN-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide
SMILESCC(C)Oc1ccc(/C=C/NC=O)cc1
InChIInChI=1S/C12H15NO2/c1-10(2)15-12-5-3-11(4-6-12)7-8-13-9-14/h3-10H,1-2H3,(H,13,14)/b8-7+
InChIKeyQJRLVEKCGJIGJV-BQYQJAHWSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide

N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide (PubChem CID 90679985) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide
PubChem CID90679985
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide
SMILESCC(C)Oc1ccc(/C=C/NC=O)cc1
InChIInChI=1S/C12H15NO2/c1-10(2)15-12-5-3-11(4-6-12)7-8-13-9-14/h3-10H,1-2H3,(H,13,14)/b8-7+
InChIKeyQJRLVEKCGJIGJV-BQYQJAHWSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide (CID 90679985) is N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide is CC(C)Oc1ccc(/C=C/NC=O)cc1.
What is the InChIKey of N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide?
The InChIKey is QJRLVEKCGJIGJV-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(2)15-12-5-3-11(4-6-12)7-8-13-9-14/h3-10H,1-2H3,(H,13,14)/b8-7+.
What are the key properties of N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide?
N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide has a molecular weight of 205.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]formamide is sourced from PubChem (CID 90679985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).