2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide

C12H17N3O3 — CID 82253483

IUPAC2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCC(=O)N(C)C
InChIInChI=1S/C12H17N3O3/c1-15(2)10(16)7-18-11-8(12(13)14)5-4-6-9(11)17-3/h4-6H,7H2,1-3H3,(H3,13,14)
InChIKeyLEMPMORERQFLND-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.45
Rot. Bonds5

About 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide

2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide (PubChem CID 82253483) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
PubChem CID82253483
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCC(=O)N(C)C
InChIInChI=1S/C12H17N3O3/c1-15(2)10(16)7-18-11-8(12(13)14)5-4-6-9(11)17-3/h4-6H,7H2,1-3H3,(H3,13,14)
InChIKeyLEMPMORERQFLND-UHFFFAOYSA-N
XLogP0.45
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
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-methylacetamide
CID 82253340
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
CID 26217588
3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253852
2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 63056439

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide (CID 82253483) is 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide is [H]/N=C(\N)c1cccc(OC)c1OCC(=O)N(C)C.
What is the InChIKey of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide?
The InChIKey is LEMPMORERQFLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(2)10(16)7-18-11-8(12(13)14)5-4-6-9(11)17-3/h4-6H,7H2,1-3H3,(H3,13,14).
What are the key properties of 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide?
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide has a molecular weight of 251.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 82253483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).