1-[3-(cyanomethoxy)phenyl]-3-ethylurea

C11H13N3O2 — CID 43175550

IUPAC1-[3-(cyanomethoxy)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-2-13-11(15)14-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,2,7H2,1H3,(H2,13,14,15)
InChIKeyMEBCFFQFMRUGHG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds4

About 1-[3-(cyanomethoxy)phenyl]-3-ethylurea

1-[3-(cyanomethoxy)phenyl]-3-ethylurea (PubChem CID 43175550) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[3-(cyanomethoxy)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(cyanomethoxy)phenyl]-3-ethylurea
PubChem CID43175550
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[3-(cyanomethoxy)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C11H13N3O2/c1-2-13-11(15)14-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,2,7H2,1H3,(H2,13,14,15)
InChIKeyMEBCFFQFMRUGHG-UHFFFAOYSA-N
XLogP1.73
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
[3-(cyanomethoxy)phenyl]urea
CID 43369607
1-[3-(cyanomethoxy)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51116764
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyanomethoxy)phenyl]-3-ethylurea?
The IUPAC name of 1-[3-(cyanomethoxy)phenyl]-3-ethylurea (CID 43175550) is 1-[3-(cyanomethoxy)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(cyanomethoxy)phenyl]-3-ethylurea?
The canonical SMILES for 1-[3-(cyanomethoxy)phenyl]-3-ethylurea is CCNC(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of 1-[3-(cyanomethoxy)phenyl]-3-ethylurea?
The InChIKey is MEBCFFQFMRUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-13-11(15)14-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,2,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-[3-(cyanomethoxy)phenyl]-3-ethylurea?
1-[3-(cyanomethoxy)phenyl]-3-ethylurea has a molecular weight of 219.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyanomethoxy)phenyl]-3-ethylurea is sourced from PubChem (CID 43175550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).