N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide

C13H17NO2 — CID 90679986

IUPACN-[(E)-2-(4-butoxyphenyl)ethenyl]formamide
SMILESCCCCOc1ccc(/C=C/NC=O)cc1
InChIInChI=1S/C13H17NO2/c1-2-3-10-16-13-6-4-12(5-7-13)8-9-14-11-15/h4-9,11H,2-3,10H2,1H3,(H,14,15)/b9-8+
InChIKeyLCSXGVMWNFRMPN-CMDGGOBGSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds7

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

N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide (PubChem CID 90679986) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(4-butoxyphenyl)ethenyl]formamide
PubChem CID90679986
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(E)-2-(4-butoxyphenyl)ethenyl]formamide
SMILESCCCCOc1ccc(/C=C/NC=O)cc1
InChIInChI=1S/C13H17NO2/c1-2-3-10-16-13-6-4-12(5-7-13)8-9-14-11-15/h4-9,11H,2-3,10H2,1H3,(H,14,15)/b9-8+
InChIKeyLCSXGVMWNFRMPN-CMDGGOBGSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide (CID 90679986) is N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide is CCCCOc1ccc(/C=C/NC=O)cc1.
What is the InChIKey of N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide?
The InChIKey is LCSXGVMWNFRMPN-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-3-10-16-13-6-4-12(5-7-13)8-9-14-11-15/h4-9,11H,2-3,10H2,1H3,(H,14,15)/b9-8+.
What are the key properties of N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide?
N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide has a molecular weight of 219.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-butoxyphenyl)ethenyl]formamide is sourced from PubChem (CID 90679986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).