3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea

C11H15N3O2 — CID 135603545

IUPAC3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
SMILESCO/N=C(\NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-14(2)11(15)12-10(13-16-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13,15)
InChIKeyNLFCSHQOYKFTFX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.27
Rot. Bonds2

About 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea

3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea (PubChem CID 135603545) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
PubChem CID135603545
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
SMILESCO/N=C(\NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-14(2)11(15)12-10(13-16-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13,15)
InChIKeyNLFCSHQOYKFTFX-UHFFFAOYSA-N
XLogP1.27
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
3-(benzenecarbonothioyl)-1,1-dimethylurea
CID 13015436
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
(3E)-3-methoxyimino-1-phenylbutan-1-one
CID 14615206
[(Z)-[acetamido(phenyl)methylidene]amino] benzoate
CID 135525655
[(Z)-N-(dimethylamino)-C-phenylcarbonimidoyl]urea
CID 135898797
N'-methoxybenzenecarboximidamide
CID 10678407
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
ethane;methoxymethane;methyl benzoate
CID 90999424

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea?
The IUPAC name of 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea (CID 135603545) is 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea is CO/N=C(\NC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea?
The InChIKey is NLFCSHQOYKFTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(2)11(15)12-10(13-16-3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13,15).
What are the key properties of 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea?
3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea has a molecular weight of 221.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea is sourced from PubChem (CID 135603545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).