N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide

C13H17NO2 — CID 70231014

IUPACN-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide
SMILESCC(=O)N(C)C(C)OC=Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(15)14(3)12(2)16-10-9-13-7-5-4-6-8-13/h4-10,12H,1-3H3
InChIKeyNPNFJLWMISIUBH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide

N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide (PubChem CID 70231014) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide
PubChem CID70231014
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide
SMILESCC(=O)N(C)C(C)OC=Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(15)14(3)12(2)16-10-9-13-7-5-4-6-8-13/h4-10,12H,1-3H3
InChIKeyNPNFJLWMISIUBH-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethenoxy)ethyl carbamate
CID 67827178
acetic acid;stilbene
CID 172803728
N-acetyl-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 6366857
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
CID 167437987
N'-methyl-N'-phenyl-N-[(E)-2-phenylethenyl]acetohydrazide
CID 101280500
N,N-dimethylmethanamine;stilbene
CID 174368184
N-(2-phenylethenyl)acetamide
CID 54032077
2-phenylethenyl 3-amino-2-methylbut-2-enoate
CID 175322238
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
2-phenylethenyl propanoate
CID 15502186

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide?
The IUPAC name of N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide (CID 70231014) is N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide is CC(=O)N(C)C(C)OC=Cc1ccccc1.
What is the InChIKey of N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide?
The InChIKey is NPNFJLWMISIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(15)14(3)12(2)16-10-9-13-7-5-4-6-8-13/h4-10,12H,1-3H3.
What are the key properties of N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide?
N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide is sourced from PubChem (CID 70231014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).