N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide

C13H17NO3 — CID 54068164

IUPACN-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide
SMILESCC1(C)OCC(C(=O)NCc2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-13(2)16-9-11(17-13)12(15)14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyMENCBVQIBKVVJZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.45
Rot. Bonds3

About N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide

N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide (PubChem CID 54068164) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide
PubChem CID54068164
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide
SMILESCC1(C)OCC(C(=O)NCc2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-13(2)16-9-11(17-13)12(15)14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyMENCBVQIBKVVJZ-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The IUPAC name of N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide (CID 54068164) is N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide is CC1(C)OCC(C(=O)NCc2ccccc2)O1.
What is the InChIKey of N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
The InChIKey is MENCBVQIBKVVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)16-9-11(17-13)12(15)14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide?
N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 54068164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).