N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide

C14H19NO3 — CID 110732799

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(16)15-11-6-4-10(5-7-11)12-17-8-9-18-12/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyGGTOIZHCPJIZQI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.72
Rot. Bonds2

About N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 110732799) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID110732799
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(16)15-11-6-4-10(5-7-11)12-17-8-9-18-12/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyGGTOIZHCPJIZQI-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 106911857
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
1-acetyl-N-[4-(1,3-dioxolan-2-yl)phenyl]piperidine-4-carboxamide
CID 110745350
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]cyclohexane-1-carboxamide
CID 106911851
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106909816
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methoxybenzamide
CID 110732808
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide (CID 110732799) is N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is GGTOIZHCPJIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)13(16)15-11-6-4-10(5-7-11)12-17-8-9-18-12/h4-7,12H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.72, 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)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110732799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).