2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide

C17H24ClNO2 — CID 70585246

IUPAC2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide
SMILESCC=Cc1ccccc1N(COC(C)C)C(=O)C(Cl)CC
InChIInChI=1S/C17H24ClNO2/c1-5-9-14-10-7-8-11-16(14)19(12-21-13(3)4)17(20)15(18)6-2/h5,7-11,13,15H,6,12H2,1-4H3
InChIKeyDXUXYSTZUIXEDD-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.45
Rot. Bonds7

About 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide

2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide (PubChem CID 70585246) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide.

Molecular Properties

Compound Name2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide
PubChem CID70585246
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide
SMILESCC=Cc1ccccc1N(COC(C)C)C(=O)C(Cl)CC
InChIInChI=1S/C17H24ClNO2/c1-5-9-14-10-7-8-11-16(14)19(12-21-13(3)4)17(20)15(18)6-2/h5,7-11,13,15H,6,12H2,1-4H3
InChIKeyDXUXYSTZUIXEDD-UHFFFAOYSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide?
The IUPAC name of 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide (CID 70585246) is 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide.
What is the SMILES notation for 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide?
The canonical SMILES for 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide is CC=Cc1ccccc1N(COC(C)C)C(=O)C(Cl)CC.
What is the InChIKey of 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide?
The InChIKey is DXUXYSTZUIXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-5-9-14-10-7-8-11-16(14)19(12-21-13(3)4)17(20)15(18)6-2/h5,7-11,13,15H,6,12H2,1-4H3.
What are the key properties of 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide?
2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide has a molecular weight of 309.84 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide is sourced from PubChem (CID 70585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).