N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide

C15H19NO3 — CID 170489382

IUPACN-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccccc1C1OCCO1
InChIInChI=1S/C15H19NO3/c1-12(17)16-9-5-4-7-13-6-2-3-8-14(13)15-18-10-11-19-15/h2-4,6-8,15H,5,9-11H2,1H3,(H,16,17)
InChIKeyQYPHYZSFMUBXJT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds5

About N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide

N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide (PubChem CID 170489382) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide
PubChem CID170489382
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccccc1C1OCCO1
InChIInChI=1S/C15H19NO3/c1-12(17)16-9-5-4-7-13-6-2-3-8-14(13)15-18-10-11-19-15/h2-4,6-8,15H,5,9-11H2,1H3,(H,16,17)
InChIKeyQYPHYZSFMUBXJT-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[3-[2-(1,3-dioxolan-2-yl)phenyl]prop-2-enyl] ethanethioate
CID 169457915
4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-en-1-amine
CID 170487615
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane
CID 169477990
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
CID 170489640
N-[4-[2-(methylsulfonylmethyl)phenyl]but-3-enyl]acetamide
CID 170489195
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958
N-[4-(2,3-dioxo-1H-indol-7-yl)but-3-enyl]acetamide
CID 170489428
N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide
CID 170489434

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide?
The IUPAC name of N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide (CID 170489382) is N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide?
The canonical SMILES for N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccccc1C1OCCO1.
What is the InChIKey of N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide?
The InChIKey is QYPHYZSFMUBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12(17)16-9-5-4-7-13-6-2-3-8-14(13)15-18-10-11-19-15/h2-4,6-8,15H,5,9-11H2,1H3,(H,16,17).
What are the key properties of N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide?
N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide is sourced from PubChem (CID 170489382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).