N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide

C15H21NO3 — CID 67978623

IUPACN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21NO3/c1-10(17)16-12-8-6-7-11(9-12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3,(H,16,17)
InChIKeyQQVJDKOMYYZKMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.25
Rot. Bonds2

About N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide

N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide (PubChem CID 67978623) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
PubChem CID67978623
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H21NO3/c1-10(17)16-12-8-6-7-11(9-12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3,(H,16,17)
InChIKeyQQVJDKOMYYZKMX-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide
CID 1017404
N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide
CID 168653157
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]acetamide
CID 17189887
N-(3-methylphenyl)acetamide
CID 10843
1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanone
CID 67978631
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
sodium tetrakis(3-acetamidophenyl)boranuide
CID 139966900

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide (CID 67978623) is N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(C2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
The InChIKey is QQVJDKOMYYZKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(17)16-12-8-6-7-11(9-12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3,(H,16,17).
What are the key properties of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide?
N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 67978623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).