2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide

C11H13NO4 — CID 68526326

IUPAC2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide
SMILESCOc1ccc(C2(C(N)=O)OCCO2)cc1
InChIInChI=1S/C11H13NO4/c1-14-9-4-2-8(3-5-9)11(10(12)13)15-6-7-16-11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyQRUZILMTGCSOLG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide

2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide (PubChem CID 68526326) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide
PubChem CID68526326
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide
SMILESCOc1ccc(C2(C(N)=O)OCCO2)cc1
InChIInChI=1S/C11H13NO4/c1-14-9-4-2-8(3-5-9)11(10(12)13)15-6-7-16-11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyQRUZILMTGCSOLG-UHFFFAOYSA-N
XLogP0.38
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 579075
CID 579075
CID 13599126
CID 13599126
CID 129805943
CID 129805943
CID 14855976
CID 14855976
CID 45121941
CID 45121941
CID 90789930
CID 90789930
CID 141089248
CID 141089248
CID 141089250
CID 141089250
CID 153729278
CID 153729278
CID 153951303
CID 153951303
CID 123635016
CID 123635016
CID 129805850
CID 129805850

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide (CID 68526326) is 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide is COc1ccc(C2(C(N)=O)OCCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide?
The InChIKey is QRUZILMTGCSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-14-9-4-2-8(3-5-9)11(10(12)13)15-6-7-16-11/h2-5H,6-7H2,1H3,(H2,12,13).
What are the key properties of 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide?
2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 68526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).