2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide

C11H15N3O3 — CID 82253340

IUPAC2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCC(=O)NC
InChIInChI=1S/C11H15N3O3/c1-14-9(15)6-17-10-7(11(12)13)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyKHHPBJAWZJNGPQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.10
Rot. Bonds5

About 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide

2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide (PubChem CID 82253340) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
PubChem CID82253340
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCC(=O)NC
InChIInChI=1S/C11H15N3O3/c1-14-9(15)6-17-10-7(11(12)13)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15)
InChIKeyKHHPBJAWZJNGPQ-UHFFFAOYSA-N
XLogP0.10
TPSA97.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
2-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 46796577

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide (CID 82253340) is 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide is [H]/N=C(\N)c1cccc(OC)c1OCC(=O)NC.
What is the InChIKey of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide?
The InChIKey is KHHPBJAWZJNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-9(15)6-17-10-7(11(12)13)4-3-5-8(10)16-2/h3-5H,6H2,1-2H3,(H3,12,13)(H,14,15).
What are the key properties of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide?
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide has a molecular weight of 237.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 82253340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).