N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride

C8H16ClNO2 — CID 79886466

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
SMILESCOCCN(CC(C)C)C(=O)Cl
InChIInChI=1S/C8H16ClNO2/c1-7(2)6-10(8(9)11)4-5-12-3/h7H,4-6H2,1-3H3
InChIKeyZGQYFTBLWOPLSE-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride

N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride (PubChem CID 79886466) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
PubChem CID79886466
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
SMILESCOCCN(CC(C)C)C(=O)Cl
InChIInChI=1S/C8H16ClNO2/c1-7(2)6-10(8(9)11)4-5-12-3/h7H,4-6H2,1-3H3
InChIKeyZGQYFTBLWOPLSE-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
2-(2-chlorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 78853411
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride (CID 79886466) is N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride is COCCN(CC(C)C)C(=O)Cl.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride?
The InChIKey is ZGQYFTBLWOPLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-7(2)6-10(8(9)11)4-5-12-3/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride?
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride has a molecular weight of 193.67 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride is sourced from PubChem (CID 79886466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).