N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide

C14H17NO2 — CID 163386517

IUPACN-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide
SMILESC=Cc1cc(C(C)NC=O)cc(OC)c1C=C
InChIInChI=1S/C14H17NO2/c1-5-11-7-12(10(3)15-9-16)8-14(17-4)13(11)6-2/h5-10H,1-2H2,3-4H3,(H,15,16)
InChIKeyNOKZBWMMRUDYOA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.79
Rot. Bonds6

About N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide

N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide (PubChem CID 163386517) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide
PubChem CID163386517
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide
SMILESC=Cc1cc(C(C)NC=O)cc(OC)c1C=C
InChIInChI=1S/C14H17NO2/c1-5-11-7-12(10(3)15-9-16)8-14(17-4)13(11)6-2/h5-10H,1-2H2,3-4H3,(H,15,16)
InChIKeyNOKZBWMMRUDYOA-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide?
The IUPAC name of N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide (CID 163386517) is N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide.
What is the SMILES notation for N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide?
The canonical SMILES for N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide is C=Cc1cc(C(C)NC=O)cc(OC)c1C=C.
What is the InChIKey of N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide?
The InChIKey is NOKZBWMMRUDYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-11-7-12(10(3)15-9-16)8-14(17-4)13(11)6-2/h5-10H,1-2H2,3-4H3,(H,15,16).
What are the key properties of N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide?
N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide has a molecular weight of 231.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,4-bis(ethenyl)-5-methoxyphenyl]ethyl]formamide is sourced from PubChem (CID 163386517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).