N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide

C17H24ClNO2 — CID 6448437

IUPACN-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILESC/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4-
InChIKeyHZDIJTXDRLNTIS-DAXSKMNVSA-N
MW309.84 g/mol
LogP3.93
Rot. Bonds8

About N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide

N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide (PubChem CID 6448437) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
PubChem CID6448437
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
SMILESC/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4-
InChIKeyHZDIJTXDRLNTIS-DAXSKMNVSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide (CID 6448437) is N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide is C/C=C\COCN(C(=O)CCl)c1c(CC)cccc1CC.
What is the InChIKey of N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide?
The InChIKey is HZDIJTXDRLNTIS-DAXSKMNVSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4-.
What are the key properties of N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide?
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide has a molecular weight of 309.84 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 6448437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).