[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide

C11H12N2O3 — CID 22106606

IUPAC[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
SMILESCOc1ccc(NC#N)c(C2OCCO2)c1
InChIInChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyPQNWGZHIYGTORX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.63
Rot. Bonds3

About [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide

[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide (PubChem CID 22106606) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
PubChem CID22106606
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
SMILESCOc1ccc(NC#N)c(C2OCCO2)c1
InChIInChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyPQNWGZHIYGTORX-UHFFFAOYSA-N
XLogP1.63
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl carbonate
CID 2936696
4-(Ethoxymethoxy)-2-methylaniline
CID 65365037
2-(1,4-Dioxaspiro[4.5]decan-8-ylidenemethyl)-4-methoxyaniline
CID 85992521
4-(Methoxymethoxy)-2-methylaniline
CID 14883323
2-(1,3-Dioxolan-2-yl)-4-methoxyaniline
CID 15338908
7-(methoxymethoxy)-2,5-dihydro-1H-1-benzazepine
CID 23168410
2,2,4-trimethyl-6-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethoxy]-1H-quinoline
CID 54345284
2-(5-Methoxy-2-nitrophenyl)-1,3-dioxolane
CID 57249027
ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate
CID 58013191
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylaniline
CID 58785195
(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide
CID 67422494
2-(1,3-Dioxolan-2-yl)-4-heptyloxyaniline
CID 67422589

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide (CID 22106606) is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide is COc1ccc(NC#N)c(C2OCCO2)c1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
The InChIKey is PQNWGZHIYGTORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-8-2-3-10(13-7-12)9(6-8)11-15-4-5-16-11/h2-3,6,11,13H,4-5H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide?
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide has a molecular weight of 220.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide is sourced from PubChem (CID 22106606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).