N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide

C18H27ClN2O2 — CID 88710767

IUPACN-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILESCCCCON=CCN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C18H27ClN2O2/c1-4-7-13-23-20-11-12-21(17(22)14-19)18-15(5-2)9-8-10-16(18)6-3/h8-11H,4-7,12-14H2,1-3H3
InChIKeyVOMISZFNNSKHGQ-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.19
Rot. Bonds10

About N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide

N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide (PubChem CID 88710767) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
PubChem CID88710767
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILESCCCCON=CCN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C18H27ClN2O2/c1-4-7-13-23-20-11-12-21(17(22)14-19)18-15(5-2)9-8-10-16(18)6-3/h8-11H,4-7,12-14H2,1-3H3
InChIKeyVOMISZFNNSKHGQ-UHFFFAOYSA-N
XLogP4.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
2-chloro-N-(2,6-diethyl-3-hexoxyphenyl)-N-[[(E)-ethylideneamino]oxymethyl]acetamide
CID 88847817
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
CID 12769785
2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide
CID 173434454
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
(E)-N-butoxy-2-chloroethanimine
CID 18926175
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide (CID 88710767) is N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide is CCCCON=CCN(C(=O)CCl)c1c(CC)cccc1CC.
What is the InChIKey of N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide?
The InChIKey is VOMISZFNNSKHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-4-7-13-23-20-11-12-21(17(22)14-19)18-15(5-2)9-8-10-16(18)6-3/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide?
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide has a molecular weight of 338.88 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 88710767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).