4-methoxy-N-(N'-methylcarbamimidoyl)benzamide

C10H13N3O2 — CID 10932667

IUPAC4-methoxy-N-(N'-methylcarbamimidoyl)benzamide
SMILESC/N=C(\N)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13N3O2/c1-12-10(11)13-9(14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14)
InChIKeyMWBGBAQKHLUBNB-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.37
Rot. Bonds2

About 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide

4-methoxy-N-(N'-methylcarbamimidoyl)benzamide (PubChem CID 10932667) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(N'-methylcarbamimidoyl)benzamide
PubChem CID10932667
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-methoxy-N-(N'-methylcarbamimidoyl)benzamide
SMILESC/N=C(\N)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H13N3O2/c1-12-10(11)13-9(14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14)
InChIKeyMWBGBAQKHLUBNB-UHFFFAOYSA-N
XLogP0.37
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide?
The IUPAC name of 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide (CID 10932667) is 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide is C/N=C(\N)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide?
The InChIKey is MWBGBAQKHLUBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-10(11)13-9(14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide?
4-methoxy-N-(N'-methylcarbamimidoyl)benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(N'-methylcarbamimidoyl)benzamide is sourced from PubChem (CID 10932667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).