1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea

C11H15N3O2 — CID 13119872

IUPAC1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+
InChIKeyKPWXPUNEWUYEOI-RIYZIHGNSA-N
MW221.26 g/mol
LogP2.03
Rot. Bonds3

About 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea

1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea (PubChem CID 13119872) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
PubChem CID13119872
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
SMILESCCNC(=O)Nc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+
InChIKeyKPWXPUNEWUYEOI-RIYZIHGNSA-N
XLogP2.03
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015759
3-acetamido-N-ethylbenzamide
CID 17230670
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
1-[2-[[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 87814592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea (CID 13119872) is 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea is CCNC(=O)Nc1cccc(/C(C)=N/O)c1.
What is the InChIKey of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?
The InChIKey is KPWXPUNEWUYEOI-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-12-11(15)13-10-6-4-5-9(7-10)8(2)14-16/h4-7,16H,3H2,1-2H3,(H2,12,13,15)/b14-8+.
What are the key properties of 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea?
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea has a molecular weight of 221.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea is sourced from PubChem (CID 13119872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).