N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide

C12H15NO3 — CID 163853434

IUPACN-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OCCO2)c(C)c1
InChIInChI=1S/C12H15NO3/c1-8-7-10(13-9(2)14)3-4-11(8)12-15-5-6-16-12/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyOWHOIPAKUXDWCN-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.00
Rot. Bonds2

About N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide

N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide (PubChem CID 163853434) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
PubChem CID163853434
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OCCO2)c(C)c1
InChIInChI=1S/C12H15NO3/c1-8-7-10(13-9(2)14)3-4-11(8)12-15-5-6-16-12/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyOWHOIPAKUXDWCN-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide (CID 163853434) is N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide is CC(=O)Nc1ccc(C2OCCO2)c(C)c1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide?
The InChIKey is OWHOIPAKUXDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-7-10(13-9(2)14)3-4-11(8)12-15-5-6-16-12/h3-4,7,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide?
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 163853434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).