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

C14H19NO3 — CID 168653157

IUPACN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide
SMILESCC1(C)OC(c2cccc(NC=O)c2)OC1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)14(3,4)18-12(17-13)10-6-5-7-11(8-10)15-9-16/h5-9,12H,1-4H3,(H,15,16)
InChIKeyVRTXJYQDVJFCOH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.86
Rot. Bonds3

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

N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide (PubChem CID 168653157) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide
PubChem CID168653157
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide
SMILESCC1(C)OC(c2cccc(NC=O)c2)OC1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)14(3,4)18-12(17-13)10-6-5-7-11(8-10)15-9-16/h5-9,12H,1-4H3,(H,15,16)
InChIKeyVRTXJYQDVJFCOH-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide?
The IUPAC name of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide (CID 168653157) is N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide?
The canonical SMILES for N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide is CC1(C)OC(c2cccc(NC=O)c2)OC1(C)C.
What is the InChIKey of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide?
The InChIKey is VRTXJYQDVJFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2)14(3,4)18-12(17-13)10-6-5-7-11(8-10)15-9-16/h5-9,12H,1-4H3,(H,15,16).
What are the key properties of N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide?
N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]formamide has a molecular weight of 249.31 g/mol, XLogP of 2.86, 3 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]formamide is sourced from PubChem (CID 168653157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).