2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate

C15H20Cl2N2O3 — CID 7238312

IUPAC2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N(C)C(C)C
InChIInChI=1S/C15H20Cl2N2O3/c1-10(2)19(3)15(22-8-7-21-4)18-14(20)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3/b18-15-
InChIKeySNGNSOCRUDUSAR-SDXDJHTJSA-N
MW347.24 g/mol
LogP3.49
Rot. Bonds5

About 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate

2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate (PubChem CID 7238312) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate
PubChem CID7238312
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate
SMILESCOCCO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N(C)C(C)C
InChIInChI=1S/C15H20Cl2N2O3/c1-10(2)19(3)15(22-8-7-21-4)18-14(20)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3/b18-15-
InChIKeySNGNSOCRUDUSAR-SDXDJHTJSA-N
XLogP3.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate?
The IUPAC name of 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate (CID 7238312) is 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate.
What is the SMILES notation for 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate?
The canonical SMILES for 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate is COCCO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N(C)C(C)C.
What is the InChIKey of 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate?
The InChIKey is SNGNSOCRUDUSAR-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-10(2)19(3)15(22-8-7-21-4)18-14(20)11-5-6-12(16)13(17)9-11/h5-6,9-10H,7-8H2,1-4H3/b18-15-.
What are the key properties of 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate?
2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate has a molecular weight of 347.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate is sourced from PubChem (CID 7238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).