N-[4-(2-methoxyphenyl)but-3-enyl]acetamide

C13H17NO2 — CID 170488272

IUPACN-[4-(2-methoxyphenyl)but-3-enyl]acetamide
SMILESCOc1ccccc1C=CCCNC(C)=O
InChIInChI=1S/C13H17NO2/c1-11(15)14-10-6-5-8-12-7-3-4-9-13(12)16-2/h3-5,7-9H,6,10H2,1-2H3,(H,14,15)
InChIKeyNBNQQHPTMOOVGJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.23
Rot. Bonds5

About N-[4-(2-methoxyphenyl)but-3-enyl]acetamide

N-[4-(2-methoxyphenyl)but-3-enyl]acetamide (PubChem CID 170488272) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)but-3-enyl]acetamide
PubChem CID170488272
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[4-(2-methoxyphenyl)but-3-enyl]acetamide
SMILESCOc1ccccc1C=CCCNC(C)=O
InChIInChI=1S/C13H17NO2/c1-11(15)14-10-6-5-8-12-7-3-4-9-13(12)16-2/h3-5,7-9H,6,10H2,1-2H3,(H,14,15)
InChIKeyNBNQQHPTMOOVGJ-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]acetamide
CID 170488539
N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
CID 170489550
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
S-[4-(2-methoxyphenyl)but-3-enyl] ethanethioate
CID 170479712
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
N-[4-[2-(methylsulfonylmethyl)phenyl]but-3-enyl]acetamide
CID 170489195
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
CID 170489640

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2-methoxyphenyl)but-3-enyl]acetamide (CID 170488272) is N-[4-(2-methoxyphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)but-3-enyl]acetamide is COc1ccccc1C=CCCNC(C)=O.
What is the InChIKey of N-[4-(2-methoxyphenyl)but-3-enyl]acetamide?
The InChIKey is NBNQQHPTMOOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(15)14-10-6-5-8-12-7-3-4-9-13(12)16-2/h3-5,7-9H,6,10H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-methoxyphenyl)but-3-enyl]acetamide?
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170488272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).