N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide

C12H19N3O3 — CID 62543676

IUPACN-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cccc(OC)c1OC
InChIInChI=1S/C12H19N3O3/c1-16-8-7-14-12(15-13)9-5-4-6-10(17-2)11(9)18-3/h4-6H,7-8,13H2,1-3H3,(H,14,15)
InChIKeyKQGDITDIJDSWTB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.56
Rot. Bonds6

About N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide

N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 62543676) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID62543676
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1cccc(OC)c1OC
InChIInChI=1S/C12H19N3O3/c1-16-8-7-14-12(15-13)9-5-4-6-10(17-2)11(9)18-3/h4-6H,7-8,13H2,1-3H3,(H,14,15)
InChIKeyKQGDITDIJDSWTB-UHFFFAOYSA-N
XLogP0.56
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
N-amino-2,3-dimethoxy-N'-methylbenzenecarboximidamide
CID 61363434
N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544326
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
N-amino-N'-(2-methoxyethyl)-3-methylsulfonylbenzenecarboximidamide
CID 62544328
N-amino-2-fluoro-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543990
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
2-methoxybenzohydrazide
CID 24051
3-methoxy-2-methylbenzohydrazide
CID 45091273
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide
CID 62876430

Frequently Asked Questions

What is the IUPAC name of N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide (CID 62543676) is N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\NN)c1cccc(OC)c1OC.
What is the InChIKey of N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is KQGDITDIJDSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-16-8-7-14-12(15-13)9-5-4-6-10(17-2)11(9)18-3/h4-6H,7-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide?
N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 253.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide is sourced from PubChem (CID 62543676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).