1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea

C11H14N2O3 — CID 13101482

IUPAC1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C11H14N2O3/c1-12-11(14)13-9-4-2-3-8(7-9)10-15-5-6-16-10/h2-4,7,10H,5-6H2,1H3,(H2,12,13,14)
InChIKeyRTEILLCGMITMGO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.48
Rot. Bonds2

About 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea

1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea (PubChem CID 13101482) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
PubChem CID13101482
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C11H14N2O3/c1-12-11(14)13-9-4-2-3-8(7-9)10-15-5-6-16-10/h2-4,7,10H,5-6H2,1H3,(H2,12,13,14)
InChIKeyRTEILLCGMITMGO-UHFFFAOYSA-N
XLogP1.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911980
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106
N-[3-(1,3-dioxolan-2-yl)phenyl]piperidine-2-carboxamide
CID 106911956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea?
The IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea (CID 13101482) is 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea?
The canonical SMILES for 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea is CNC(=O)Nc1cccc(C2OCCO2)c1.
What is the InChIKey of 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea?
The InChIKey is RTEILLCGMITMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-11(14)13-9-4-2-3-8(7-9)10-15-5-6-16-10/h2-4,7,10H,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea?
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea has a molecular weight of 222.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea is sourced from PubChem (CID 13101482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).